Geometry & MOs

Info

ID:

106175

PubChem CID:

50151434

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-129.28

Dipole, Da:

11.41

IP(EA), eV:

 -8.49(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(piperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations