Geometry & MOs

Info

ID:	125492
PubChem CID:	50926255
Reduced:	O2S2N3H21C24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	455.052897
ΔH_f, kcal/mol:	2.04
Dipole, Da:	4.31
IP(EA), eV:	-8.85(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[3-(2,3-dimethylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4CCC5=CC=CC=C45

DOS

IR

Vibrations