Geometry & MOs

Info

ID:

112058

PubChem CID:

50393241

Reduced:

F3N5O5C32H40 (1)

Stoich.:

A3B5C5D32E40 (1)

Weight, g/mol:

722.392247

ΔHf, kcal/mol:

-368.91

Dipole, Da:

4.52

IP(EA), eV:

 -8.74(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3OC(F)(F)F)C(=O)NC4CCCCC4

DOS

IR

Vibrations