Geometry & MOs

Info

ID:	234336
PubChem CID:	92298205
Reduced:	BrNO3H20C26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	440.137222
ΔH_f, kcal/mol:	3.51
Dipole, Da:	3.9
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-hydroxy-1-(2-methylphenyl)-2-(4-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)Br

DOS

IR

Vibrations