Geometry & MOs

Info

ID:	12860
PubChem CID:	147132
Reduced:	SN4O6C28H28 (1)
Stoich.:	AB4C6D28E28 (1)
Weight, g/mol:	548.172956
ΔH_f, kcal/mol:	-161.92
Dipole, Da:	1.29
IP(EA), eV:	-8.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]benzimidazol-5-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NS(=O)(=O)C2=CC=CC=C2)CN3C=NC4=C3C=C(C=C4)NC(=O)OC5CCCC5

DOS

IR

Vibrations