Geometry & MOs

Info

ID:	236270
PubChem CID:	92712142
Reduced:	ClSO2N4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	410.121275
ΔH_f, kcal/mol:	-16.04
Dipole, Da:	7.25
IP(EA), eV:	-9.05(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations