Geometry & MOs

Info

ID:

95639

PubChem CID:

50011070

Reduced:

FO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

570.235746

ΔHf, kcal/mol:

-196.0

Dipole, Da:

5.19

IP(EA), eV:

 -8.84(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-acetamido-2-chloroanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations