Geometry & MOs

Info

ID:

113938

PubChem CID:

50465334

Reduced:

FN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-261.83

Dipole, Da:

13.15

IP(EA), eV:

 -8.43(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations