Geometry & MOs

Info

ID:

96838

PubChem CID:

50024853

Reduced:

N6O6C39H56 (1)

Stoich.:

A6B6C39D56 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-272.97

Dipole, Da:

12.58

IP(EA), eV:

 -8.61(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(butan-2-ylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC

DOS

IR

Vibrations