Geometry & MOs

Info

ID:

106183

PubChem CID:

50151537

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-226.53

Dipole, Da:

11.17

IP(EA), eV:

 -8.68(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations