Geometry & MOs

Info

ID:	431297
PubChem CID:	135171368
Reduced:	SC11H18 (1)
Stoich.:	AB11C18 (1)
Weight, g/mol:	612.261567
ΔH_f, kcal/mol:	11.68
Dipole, Da:	2.4
IP(EA), eV:	-8.48(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC/C(=C(\C)/C=C(\C=C)/SC)/C

DOS

IR

Vibrations