Geometry & MOs

Info

ID:	191444
PubChem CID:	78147671
Reduced:	OSN8C27H30 (1)
Stoich.:	ABC8D27E30 (1)
Weight, g/mol:	609.219904
ΔH_f, kcal/mol:	86.97
Dipole, Da:	5.06
IP(EA), eV:	-8.18(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-difluorophenyl)methylideneamino]-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]urea

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CN2C=NC3=C2N=CC=C3)C4=C(N=CS4)C5=NC6=C(N5)C=C(C=C6)C(C)(C)C

DOS

IR

Vibrations