Geometry & MOs

Info

ID:	191995
PubChem CID:	78211175
Reduced:	FN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	313.065176
ΔH_f, kcal/mol:	-50.37
Dipole, Da:	5.31
IP(EA), eV:	-9.63(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[(4-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N(CC1C=C2C=CC=CC2=NC1=O)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations