Geometry & MOs

Info

ID:

106173

PubChem CID:

50151398

Reduced:

N5O6C34H49 (1)

Stoich.:

A5B6C34D49 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-258.01

Dipole, Da:

8.2

IP(EA), eV:

 -8.68(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(diethylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]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)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations