Geometry & MOs

Info

ID:

113681

PubChem CID:

50454544

Reduced:

FN6O6C41H43 (1)

Stoich.:

AB6C6D41E43 (1)

Weight, g/mol:

730.365425

ΔHf, kcal/mol:

-215.26

Dipole, Da:

15.0

IP(EA), eV:

 -8.68(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations