Geometry & MOs

Info

ID:	21922
PubChem CID:	593842
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-12.4
Dipole, Da:	5.64
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CSC2=NC=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations