Geometry & MOs

Info

ID:

111637

PubChem CID:

50376011

Reduced:

O5N6C42H54 (1)

Stoich.:

A5B6C42D54 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-208.64

Dipole, Da:

6.93

IP(EA), eV:

 -8.83(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-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=CC=CC(=C3C)C(=O)NC4=CC=CC=C4)C(=O)NC5CCCCC5

DOS

IR

Vibrations