Geometry & MOs

Info

ID:

114109

PubChem CID:

50471928

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-184.89

Dipole, Da:

8.1

IP(EA), eV:

 -8.66(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)Cl)C)F

DOS

IR

Vibrations