Geometry & MOs

Info

ID:	115355
PubChem CID:	50519997
Reduced:	Cl2O5N6C29H36 (1)
Stoich.:	A2B5C6D29E36 (1)
Weight, g/mol:	567.14401
ΔH_f, kcal/mol:	-205.55
Dipole, Da:	5.37
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations