Geometry & MOs

Info

ID:

110849

PubChem CID:

50341470

Reduced:

ClO3N4C28H37 (1)

Stoich.:

AB3C4D28E37 (1)

Weight, g/mol:

716.345296

ΔHf, kcal/mol:

-131.19

Dipole, Da:

6.4

IP(EA), eV:

 -8.92(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations