Geometry & MOs

Info

ID:

95022

PubChem CID:

50005802

Reduced:

BrO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-157.71

Dipole, Da:

9.3

IP(EA), eV:

 -8.72(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(phenylcarbamoyl)anilino]-3-oxopropyl]-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)NC(C(C)C)C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations