Geometry & MOs

Info

ID:	62325
PubChem CID:	26719241
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	449.123169
ΔH_f, kcal/mol:	-56.15
Dipole, Da:	2.97
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,3-dimethylphenyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations