Geometry & MOs

Info

ID:	95279
PubChem CID:	50007691
Reduced:	ClO4N5C29H36 (1)
Stoich.:	AB4C5D29E36 (1)
Weight, g/mol:	541.245582
ΔH_f, kcal/mol:	-162.82
Dipole, Da:	9.48
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(diethylcarbamoyl)phenyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations