Geometry & MOs

Info

ID:	433125
PubChem CID:	135173262
Reduced:	ClOSN2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	357.056546
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	1.77
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-4-hydroxy-1,4-dihydropyrimidin-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SN2CCN(CC2)C(=O)CCl

DOS

IR

Vibrations