Geometry & MOs

Info

ID:	68258
PubChem CID:	46508064
Reduced:	ClN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	464.074361
ΔH_f, kcal/mol:	-74.27
Dipole, Da:	5.58
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCCC1(C(=O)N(C(=O)N1)CC2=CC(=NO2)C3=CC=C(C=C3)Cl)CCC

DOS

IR

Vibrations