Geometry & MOs

Info

ID:	118247
PubChem CID:	50635745
Reduced:	ClO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-204.47
Dipole, Da:	11.58
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-anilino-1-oxopropan-2-yl)-1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations