Geometry & MOs

Info

ID:	62533
PubChem CID:	26719842
Reduced:	O2N3S3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	467.07959
ΔH_f, kcal/mol:	-44.62
Dipole, Da:	2.06
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)CCSCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations