Geometry & MOs

Info

ID:	68198
PubChem CID:	46507953
Reduced:	SF2O2N4H20C23 (1)
Stoich.:	AB2C2D4E20F23 (1)
Weight, g/mol:	480.192818
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	2.9
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(NC2=S)C3=C(C=CC=C3F)F)C(=O)NC4=NOC(=C4)C)C

DOS

IR

Vibrations