Geometry & MOs

Info

ID:	132596
PubChem CID:	51384391
Reduced:	N4O4C16H21 (1)
Stoich.:	A4B4C16D21 (1)
Weight, g/mol:	499.080922
ΔH_f, kcal/mol:	-110.71
Dipole, Da:	6.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753732
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-1-(4-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-4,6-dioxopyrimidin-2-olate

Drug info:

PubChemData

Smile

C[NH+](C)CCN/C=C/1\C(=O)NC(=O)N(C1=O)C2=CC=CC=C2OC

DOS

IR

Vibrations