Geometry & MOs

Info

ID:	363400
PubChem CID:	127310938
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-90.12
Dipole, Da:	4.14
IP(EA), eV:	-8.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-yl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2=CC3=C(C=C2)NC(=O)CC3)N4CCSCC4

DOS

IR

Vibrations