Geometry & MOs

Info

ID:	425649
PubChem CID:	135127124
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	322.28718
ΔH_f, kcal/mol:	41.46
Dipole, Da:	6.6
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-9-[(6S)-2,2,7-trimethyl-1-bicyclo[4.1.0]heptanyl]nonanoic acid

Drug info:

PubChemData

Smile

CN(C)CC1=CC=C(C=C1)C2=CN3C(=C2)C(=NC=N3)C4=CC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations