Geometry & MOs

Info

ID:

112745

PubChem CID:

50417534

Reduced:

F3O5N6H37C38 (1)

Stoich.:

A3B5C6D37E38 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-271.59

Dipole, Da:

3.65

IP(EA), eV:

 -8.32(-0.77)

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-[4-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations