Geometry & MOs

Info

ID:	160952
PubChem CID:	57390348
Reduced:	OSCl2N3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	455.170588
ΔH_f, kcal/mol:	7.72
Dipole, Da:	1.42
IP(EA), eV:	-9.29(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2,5-dimethyl-1-[3-(2H-tetrazol-5-yl)phenyl]pyrrol-3-yl]methylidene]-3-(4-methoxyphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2C(SCC2=O)C3=C(C=NC=C3Cl)Cl

DOS

IR

Vibrations