Geometry & MOs

Info

ID:	62468
PubChem CID:	26719751
Reduced:	ClSN2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	455.052897
ΔH_f, kcal/mol:	-92.41
Dipole, Da:	3.84
IP(EA), eV:	-9.17(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)NC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

DOS

IR

Vibrations