Geometry & MOs

Info

ID:	122950
PubChem CID:	50828381
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	469.068547
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	8.36
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(3-ethyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C(=O)N(C)C)N3CCNCC3

DOS

IR

Vibrations