Geometry & MOs

Info

ID:	35550
PubChem CID:	7980019
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	286.148141
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	1.35
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(4-fluorophenyl)-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations