Geometry & MOs

Info

ID:

112923

PubChem CID:

50425653

Reduced:

N3O3C16H22 (2)

Stoich.:

A3B3C16D22 (2)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-245.95

Dipole, Da:

7.97

IP(EA), eV:

 -8.75(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC

DOS

IR

Vibrations