Geometry & MOs

Info

ID:

112918

PubChem CID:

50425615

Reduced:

O5N6C31H40 (1)

Stoich.:

A5B6C31D40 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-191.67

Dipole, Da:

6.1

IP(EA), eV:

 -9.02(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(diethylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC)C(=O)NC

DOS

IR

Vibrations