Geometry & MOs

Info

ID:

102748

PubChem CID:

50069599

Reduced:

ClF2O5N6C38H45 (1)

Stoich.:

AB2C5D6E38F45 (1)

Weight, g/mol:

772.295152

ΔHf, kcal/mol:

-281.18

Dipole, Da:

10.44

IP(EA), eV:

 -9.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-[(2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)Cl

DOS

IR

Vibrations