Geometry & MOs

Info

ID:	158410
PubChem CID:	56463586
Reduced:	S2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	470.144633
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	5.0
IP(EA), eV:	-8.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)CC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations