Geometry & MOs

Info

ID:	172825
PubChem CID:	75557342
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	347.08254
ΔH_f, kcal/mol:	27.7
Dipole, Da:	3.77
IP(EA), eV:	-8.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-cyano-3-(1-phenylpyrrol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=CN(C=C2)C(C)C)C

DOS

IR

Vibrations