Geometry & MOs

Info

ID:

116882

PubChem CID:

50579592

Reduced:

Cl2O5N6C36H48 (1)

Stoich.:

A2B5C6D36E48 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-229.07

Dipole, Da:

4.78

IP(EA), eV:

 -9.26(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)NCC(C)C)Cl)Cl

DOS

IR

Vibrations