Geometry & MOs

Info

ID:	236268
PubChem CID:	92712130
Reduced:	NSO2C10H14 (2)
Stoich.:	ABC2D10E14 (2)
Weight, g/mol:	460.118082
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	6.45
IP(EA), eV:	-8.81(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CNC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations