Geometry & MOs

Info

ID:	236280
PubChem CID:	92712186
Reduced:	ClSO2N4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	504.02556
ΔH_f, kcal/mol:	23.49
Dipole, Da:	2.75
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=N[C@@H](C(=O)N42)C5=CC=CC=C5)Cl

DOS

IR

Vibrations