Geometry & MOs

Info

ID:

113911

PubChem CID:

50463549

Reduced:

ClF2O5N6C39H47 (1)

Stoich.:

AB2C5D6E39F47 (1)

Weight, g/mol:

778.342103

ΔHf, kcal/mol:

-302.14

Dipole, Da:

6.37

IP(EA), eV:

 -8.62(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=C(C=C4)F)F)Cl

DOS

IR

Vibrations