Geometry & MOs

Info

ID:	71894
PubChem CID:	48415587
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	10.2
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=CC(=C3)CS(=O)(=O)C

DOS

IR

Vibrations