Geometry & MOs

Info

ID:	236281
PubChem CID:	92712187
Reduced:	BrSO2N4H17C24 (1)
Stoich.:	ABC2D4E17F24 (1)
Weight, g/mol:	458.121275
ΔH_f, kcal/mol:	40.75
Dipole, Da:	6.05
IP(EA), eV:	-8.93(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-2-[[(2S)-3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=C(C=C5)Br

DOS

IR

Vibrations