Geometry & MOs

Info

ID:	308351
PubChem CID:	125326271
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	549.295119
ΔH_f, kcal/mol:	-35.2
Dipole, Da:	5.8
IP(EA), eV:	-9.19(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR,9R,10aS)-N-[(1R,2S,4S,7R)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-5H-indolo[4,3-fg]quinoline-9-carboxamide

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

CCOC(=O)[C@@H](C)S[C@H]1N=C2C3=CC=CC=C3N=C2C(=O)N1C4=CC(=CC(=C4)C)C

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

CCOC(=O)[C@@H](C)S[C@H]1N=C2C3=CC=CC=C3N=C2C(=O)N1C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):