Geometry & MOs

Info

ID:	157878
PubChem CID:	56437666
Reduced:	O3N6C27H32 (1)
Stoich.:	A3B6C27D32 (1)
Weight, g/mol:	429.254003
ΔH_f, kcal/mol:	-62.03
Dipole, Da:	4.09
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-[[[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamoylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2=CC=CC=C2)NC(=O)NCC3=CC(=CC=C3)C(=O)NCCN(C)C

DOS

IR

Vibrations