Geometry & MOs

Info

ID:

96789

PubChem CID:

50024516

Reduced:

N6O6C41H52 (1)

Stoich.:

A6B6C41D52 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-216.19

Dipole, Da:

5.07

IP(EA), eV:

 -8.65(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methoxy-3-(propanoylamino)phenyl]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)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations