Geometry & MOs

Info

ID:	344338
PubChem CID:	127267514
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	337.065176
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	5.95
IP(EA), eV:	-9.14(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[(2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(CSC)C(=O)NC1=NC=CC2=C1C=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations