Geometry & MOs

Info

ID:	302792
PubChem CID:	124395511
Reduced:	SO3N4C22H32 (1)
Stoich.:	AB3C4D22E32 (1)
Weight, g/mol:	421.119319
ΔH_f, kcal/mol:	-88.1
Dipole, Da:	7.97
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)N[C@@H]3CCCC[C@@H]3C

DOS

IR

Vibrations