Geometry & MOs

Info

ID:	115348
PubChem CID:	50519683
Reduced:	ClF3O4N5C29H35 (1)
Stoich.:	AB3C4D5E29F35 (1)
Weight, g/mol:	567.14401
ΔH_f, kcal/mol:	-322.0
Dipole, Da:	10.61
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(F)(F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C

DOS

IR

Vibrations