Geometry & MOs

Info

ID:

105769

PubChem CID:

50139424

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-205.0

Dipole, Da:

10.77

IP(EA), eV:

 -8.62(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C

DOS

IR

Vibrations