Geometry & MOs

Info

ID:

95782

PubChem CID:

50014454

Reduced:

O5N6C33H46 (1)

Stoich.:

A5B6C33D46 (1)

Weight, g/mol:

634.384269

ΔHf, kcal/mol:

-227.41

Dipole, Da:

6.53

IP(EA), eV:

 -8.38(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)C

DOS

IR

Vibrations