Geometry & MOs

Info

ID:

107986

PubChem CID:

50226235

Reduced:

ClF2O5N6C39H43 (1)

Stoich.:

AB2C5D6E39F43 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-272.14

Dipole, Da:

9.83

IP(EA), eV:

 -8.89(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCC6

DOS

IR

Vibrations