Geometry & MOs

Info

ID:

114684

PubChem CID:

50492332

Reduced:

FO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-141.75

Dipole, Da:

5.9

IP(EA), eV:

 -8.42(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations