Geometry & MOs

Info

ID:

112381

PubChem CID:

50404949

Reduced:

FO4N5C25H30 (1)

Stoich.:

AB4C5D25E30 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-187.01

Dipole, Da:

4.61

IP(EA), eV:

 -9.0(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)F)C(=O)NC

DOS

IR

Vibrations