Geometry & MOs

Info

ID:

114488

PubChem CID:

50484623

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

712.257624

ΔHf, kcal/mol:

-221.87

Dipole, Da:

10.32

IP(EA), eV:

 -8.58(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-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)NCC(=O)NC3=CC=C(C=C3)NC(=O)C(C)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations