Geometry & MOs

Info

ID:	83913
PubChem CID:	49862415
Reduced:	OSN2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	472.195127
ΔH_f, kcal/mol:	62.42
Dipole, Da:	4.17
IP(EA), eV:	-9.15(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(1,2-dicyclohexyl-3-thiophen-2-ylpropylidene)amino] N-(3-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CN1C(=CC=C1C2=CC=C(C=C2)C(C3=CC=CS3)O)C#N

DOS

IR

Vibrations