Geometry & MOs

Info

ID:

95815

PubChem CID:

50015320

Reduced:

N5O5C30H41 (1)

Stoich.:

A5B5C30D41 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-195.85

Dipole, Da:

8.02

IP(EA), eV:

 -8.79(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations