Geometry & MOs

Info

ID:

112510

PubChem CID:

50409595

Reduced:

FCl2O4N5C35H40 (1)

Stoich.:

AB2C4D5E35F40 (1)

Weight, g/mol:

597.308183

ΔHf, kcal/mol:

-202.14

Dipole, Da:

7.59

IP(EA), eV:

 -9.0(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylbutanoylamino)phenyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations