Geometry & MOs

Info

ID:	236278
PubChem CID:	92712182
Reduced:	SO2N4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	454.146347
ΔH_f, kcal/mol:	31.78
Dipole, Da:	5.82
IP(EA), eV:	-8.75(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C4=N[C@@H](C(=O)N42)C5=CC=CC=C5

DOS

IR

Vibrations