Geometry & MOs

Info

ID:	95723
PubChem CID:	50012940
Reduced:	N5O5C30H41 (1)
Stoich.:	A5B5C30D41 (1)
Weight, g/mol:	555.261232
ΔH_f, kcal/mol:	-193.67
Dipole, Da:	10.0
IP(EA), eV:	-8.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations