Geometry & MOs

Info

ID:	120409
PubChem CID:	50725726
Reduced:	ClFO3N4C29H30 (1)
Stoich.:	ABC3D4E29F30 (1)
Weight, g/mol:	615.261232
ΔH_f, kcal/mol:	-123.8
Dipole, Da:	7.91
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations