Geometry & MOs

Info

ID:

94984

PubChem CID:

50005460

Reduced:

F2O4N5C26H31 (1)

Stoich.:

A2B4C5D26E31 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-231.95

Dipole, Da:

8.66

IP(EA), eV:

 -8.78(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(diethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-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)NCCC(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations