Geometry & MOs

Info

ID:

105968

PubChem CID:

50144600

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-216.07

Dipole, Da:

5.71

IP(EA), eV:

 -8.95(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations