Geometry & MOs

Info

ID:	425781
PubChem CID:	135127960
Reduced:	OSF3N4H13C18 (1)
Stoich.:	ABC3D4E13F18 (1)
Weight, g/mol:	481.166938
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	4.03
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[[6-chloro-2-[(Z)-4-ethenyliminobut-2-enyl]quinazolin-4-yl]amino]benzamide

Drug info:

PubChemData

Smile

C1CSC2=NC(=NC(=C21)NC3=CC(=CC=C3)OC(F)(F)F)C4=CN=CC=C4

DOS

IR

Vibrations