Geometry & MOs

Info

ID:	344273
PubChem CID:	127267449
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	337.065176
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	8.68
IP(EA), eV:	-9.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)sulfanyl-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)NCC2=CC(=O)NC(=S)N2

DOS

IR

Vibrations