Geometry & MOs

Info

ID:	136779
PubChem CID:	52099465
Reduced:	ClSN4O5H17C22 (1)
Stoich.:	ABC4D5E17F22 (1)
Weight, g/mol:	484.060818
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	6.0
IP(EA), eV:	-9.17(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-(3-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations