Geometry & MOs

Info

ID:	305195
PubChem CID:	124767481
Reduced:	NOBr2H19C25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	554.244407
ΔH_f, kcal/mol:	61.56
Dipole, Da:	5.66
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7S,11S,15R)-4-[(2S)-butan-2-yl]-6,12,14-tris[(2R)-butan-2-yl]-2,8,10,16-tetraoxa-5lambda6,13lambda6-dithia-4,6,12,14-tetrazatetracyclo[7.7.0.03,7.011,15]hexadecane 5,5,13,13-tetraoxide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C=C[C@@H]2[C@@H]1[C@H](N(C3=C2C=C(C=C3)Br)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1C=C[C@@H]2[C@@H]1[C@H](N(C3=C2C=C(C=C3)Br)C(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):