Geometry & MOs

Info

ID:

112678

PubChem CID:

50415849

Reduced:

F4O5N6H36C38 (1)

Stoich.:

A4B5C6D36E38 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-319.13

Dipole, Da:

8.88

IP(EA), eV:

 -9.17(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(2-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations