Geometry & MOs

Info

ID:

93103

PubChem CID:

49991612

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-246.15

Dipole, Da:

7.24

IP(EA), eV:

 -8.96(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations