Geometry & MOs

Info

ID:	33865
PubChem CID:	7888498
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	411.10665
ΔH_f, kcal/mol:	-8.76
Dipole, Da:	1.03
IP(EA), eV:	-8.85(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1COCO[C@@H]1CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations