Geometry & MOs

Info

ID:	234337
PubChem CID:	92298210
Reduced:	N2O5H20C26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	440.137222
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	5.75
IP(EA), eV:	-9.48(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-hydroxy-1-(2-methylphenyl)-2-(3-nitrophenyl)-3-[(Z)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2[C@H](C(=C(C2=O)O)C(=O)/C=C\C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations