Geometry & MOs

Info

ID:	68064
PubChem CID:	46507691
Reduced:	S2N3O4H13C17 (1)
Stoich.:	A2B3C4D13E17 (1)
Weight, g/mol:	510.172562
ΔH_f, kcal/mol:	-62.52
Dipole, Da:	8.23
IP(EA), eV:	-8.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-ethylphenyl)-4-oxo-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)NC=NS4(=O)=O

DOS

IR

Vibrations