Geometry & MOs

Info

ID:	117815
PubChem CID:	50616534
Reduced:	ClN5O5C30H38 (1)
Stoich.:	AB5C5D30E38 (1)
Weight, g/mol:	577.209197
ΔH_f, kcal/mol:	-206.31
Dipole, Da:	10.32
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[4-[(4-methoxybenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N)Cl)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC

DOS

IR

Vibrations