Geometry & MOs

Info

ID:

116885

PubChem CID:

50579595

Reduced:

Cl2O5N6C38H50 (1)

Stoich.:

A2B5C6D38E50 (1)

Weight, g/mol:

728.285589

ΔHf, kcal/mol:

-224.14

Dipole, Da:

11.19

IP(EA), eV:

 -9.08(-0.87)

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-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCC(CC5)C)Cl

DOS

IR

Vibrations