Geometry & MOs

Info

ID:	62534
PubChem CID:	26719843
Reduced:	O2N3S3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	467.07959
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	7.25
IP(EA), eV:	-8.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)SC)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

DOS

IR

Vibrations