Geometry & MOs

Info

ID:

94522

PubChem CID:

50002123

Reduced:

O4N5C32H45 (1)

Stoich.:

A4B5C32D45 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-188.78

Dipole, Da:

5.25

IP(EA), eV:

 -8.72(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-5-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations