Geometry & MOs

Info

ID:	234335
PubChem CID:	92298201
Reduced:	SN3O9H19C25 (1)
Stoich.:	AB3C9D19E25 (1)
Weight, g/mol:	473.06266
ΔH_f, kcal/mol:	-183.86
Dipole, Da:	7.99
IP(EA), eV:	-9.2(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2[C@H](C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C2=O)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations