Geometry & MOs

Info

ID:

107964

PubChem CID:

50225417

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-336.17

Dipole, Da:

6.7

IP(EA), eV:

 -9.38(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations