Geometry & MOs

Info

ID:	157907
PubChem CID:	56458946
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	-144.34
Dipole, Da:	2.45
IP(EA), eV:	-8.49(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)C

DOS

IR

Vibrations