Geometry & MOs

Info

ID:

95360

PubChem CID:

50008722

Reduced:

O5N6C30H40 (1)

Stoich.:

A5B6C30D40 (1)

Weight, g/mol:

556.220096

ΔHf, kcal/mol:

-207.2

Dipole, Da:

6.68

IP(EA), eV:

 -8.31(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-chloroanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C)NC(=O)C(C)C

DOS

IR

Vibrations