Geometry & MOs

Info

ID:	363301
PubChem CID:	127310718
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	386.214033
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	3.49
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)NCC2(CCCCC2)N3CCSCC3

DOS

IR

Vibrations