Geometry & MOs

Info

ID:	95371
PubChem CID:	50008843
Reduced:	ClN5O5C27H34 (1)
Stoich.:	AB5C5D27E34 (1)
Weight, g/mol:	539.229932
ΔH_f, kcal/mol:	-195.3
Dipole, Da:	5.22
IP(EA), eV:	-8.65(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations