Geometry & MOs

Info

ID:

107567

PubChem CID:

50208822

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

650.379183

ΔHf, kcal/mol:

-270.44

Dipole, Da:

10.82

IP(EA), eV:

 -8.62(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(butan-2-ylcarbamoyl)-2-methoxyanilino]-3-oxopropyl]-1-[2-[4-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)OC)C

DOS

IR

Vibrations