Geometry & MOs

Info

ID:	194319
PubChem CID:	78515167
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-62.36
Dipole, Da:	4.01
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dimethylphenyl)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CC(CC4)C

DOS

IR

Vibrations