Geometry & MOs

Info

ID:	141270
PubChem CID:	52851085
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	6.15
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)CN2C3=CC=CC=C3N=C2CS(=O)(=O)C

DOS

IR

Vibrations