Geometry & MOs

Info

ID:	192919
PubChem CID:	78325277
Reduced:	SN2O4C31H36 (1)
Stoich.:	AB2C4D31E36 (1)
Weight, g/mol:	401.119147
ΔH_f, kcal/mol:	-99.39
Dipole, Da:	7.3
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)CSC4=CC=CC=C4

DOS

IR

Vibrations