Geometry & MOs

Info

ID:

95670

PubChem CID:

50011589

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-205.99

Dipole, Da:

6.54

IP(EA), eV:

 -8.52(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,4-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations