Geometry & MOs

Info

ID:	54647
PubChem CID:	17389040
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	397.215413
ΔH_f, kcal/mol:	38.63
Dipole, Da:	4.28
IP(EA), eV:	-8.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3,5-dimethylphenyl)-3-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)/C(=C\C2=CC=CS2)/C#N)C

DOS

IR

Vibrations