Geometry & MOs

Info

ID:	170835
PubChem CID:	75285225
Reduced:	ClSN4O4H19C22 (1)
Stoich.:	ABC4D4E19F22 (1)
Weight, g/mol:	449.041246
ΔH_f, kcal/mol:	-99.12
Dipole, Da:	3.73
IP(EA), eV:	-8.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-(3,4-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations