Geometry & MOs

Info

ID:

187296

PubChem CID:

77556406

Reduced:

SN6O7C34H52 (1)

Stoich.:

AB6C7D34E52 (1)

Weight, g/mol:

529.362805

ΔHf, kcal/mol:

-297.3

Dipole, Da:

5.67

IP(EA), eV:

 -8.86(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(3-methylbutyl)-1-[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]piperazin-2-yl] N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2C=C(C1=O)OC(=O)NC3CC4CCC(C3)N4CC(CN(CCN5CCC(CC5)CNS(=O)(=O)C)C(=O)C)O

DOS

IR

Vibrations