Geometry & MOs

Info

ID:	236277
PubChem CID:	92712176
Reduced:	SN4O4H26C28 (1)
Stoich.:	AB4C4D26E28 (1)
Weight, g/mol:	454.146347
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	5.57
IP(EA), eV:	-8.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CNC(=O)CSC2=NC3=CC=CC=C3C4=N[C@@H](C(=O)N42)CC5=CC=CC=C5

DOS

IR

Vibrations