Geometry & MOs

Info

ID:	52456
PubChem CID:	12015321
Reduced:	NSO3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	333.139865
ΔH_f, kcal/mol:	-70.92
Dipole, Da:	4.46
IP(EA), eV:	-9.59(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6R,7R)-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methanone

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

C[C@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3C[C@H]4[C@H]5C[C@@H]([C@@H]4S3(=O)=O)C=C5)C=C2

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

C[C@H]1[C@H]2C[C@@H]([C@@H]1C(=O)N3C[C@H]4[C@H]5C[C@@H]([C@@H]4S3(=O)=O)C=C5)C=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):