Geometry & MOs

Info

ID:	57640
PubChem CID:	22429312
Reduced:	ClSN3O4H24C26 (1)
Stoich.:	ABC3D4E24F26 (1)
Weight, g/mol:	525.11252
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	1.29
IP(EA), eV:	-8.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CN2C3=C(C4=C(S3)CCCC4)C(=O)N(C2=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations