Geometry & MOs

Info

ID:	302682
PubChem CID:	124391980
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	481.18017
ΔH_f, kcal/mol:	-89.18
Dipole, Da:	5.96
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]-N-(4-hydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C)[C@H](CO)NC(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations