Geometry & MOs

Info

ID:

106051

PubChem CID:

50147857

Reduced:

N5O5C35H43 (1)

Stoich.:

A5B5C35D43 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-168.62

Dipole, Da:

8.39

IP(EA), eV:

 -9.01(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(morpholine-4-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations