Geometry & MOs

Info

ID:	117542
PubChem CID:	50606824
Reduced:	ClO5N6C32H41 (1)
Stoich.:	AB5C6D32E41 (1)
Weight, g/mol:	540.173975
ΔH_f, kcal/mol:	-220.5
Dipole, Da:	10.12
IP(EA), eV:	-8.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-(2,6-difluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)NC(=O)C4CCCCC4

DOS

IR

Vibrations