Geometry & MOs

Info

ID:	123555
PubChem CID:	50854056
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	373.074868
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	9.97
IP(EA), eV:	-8.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(1-cyclopentylpyrrol-3-yl)-N-(2,4-dichlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CN(C=C3)C4CCCC4)/C(=O)NC2=S

DOS

IR

Vibrations