Geometry & MOs

Info

ID:	122224
PubChem CID:	50798558
Reduced:	FSO2N4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	-68.13
Dipole, Da:	3.99
IP(EA), eV:	-8.85(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=C(C=C1)F)SC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(C)C

DOS

IR

Vibrations