Geometry & MOs

Info

ID:

114378

PubChem CID:

50481101

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-231.51

Dipole, Da:

13.59

IP(EA), eV:

 -9.0(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations