Geometry & MOs

Info

ID:

106071

PubChem CID:

50148366

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-202.49

Dipole, Da:

1.99

IP(EA), eV:

 -8.88(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4)C

DOS

IR

Vibrations