Geometry & MOs

Info

ID:	343331
PubChem CID:	127266504
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	489.148905
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	1.62
IP(EA), eV:	-8.99(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2E)-2-chloro-2-(6-morpholin-4-ylsulfonyl-3-propyl-1H-benzimidazol-2-ylidene)ethylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C(=CC3=CC(=CC=C3)O)NC2=S

DOS

IR

Vibrations