Geometry & MOs

Info

ID:	158440
PubChem CID:	56463646
Reduced:	ISN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	401.00449
ΔH_f, kcal/mol:	-63.87
Dipole, Da:	6.98
IP(EA), eV:	-9.59(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-ethylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1=CC=CN1C2=CC(=CC=C2)I

DOS

IR

Vibrations