Geometry & MOs

Info

ID:	122223
PubChem CID:	50798426
Reduced:	ON5C27H29 (1)
Stoich.:	AB5C27D29 (1)
Weight, g/mol:	452.168225
ΔH_f, kcal/mol:	61.73
Dipole, Da:	3.41
IP(EA), eV:	-9.02(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[[2-(2-methylpropyl)-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CCCNC(=O)N1CC2=C(N3C=CC=C3C1C4=CC=CC(=C4)C)N(N=C2C)C5=CC=CC=C5

DOS

IR

Vibrations