Geometry & MOs

Info

ID:

99639

PubChem CID:

50053327

Reduced:

ClF2O5N6C38H43 (1)

Stoich.:

AB2C5D6E38F43 (1)

Weight, g/mol:

664.282089

ΔHf, kcal/mol:

-275.76

Dipole, Da:

4.07

IP(EA), eV:

 -9.03(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamido-4-methoxyanilino)-2-oxoethyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations