Geometry & MOs

Info

ID:

94210

PubChem CID:

49999059

Reduced:

BrO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-196.57

Dipole, Da:

6.37

IP(EA), eV:

 -8.95(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N(C)C

DOS

IR

Vibrations