Geometry & MOs

Info

ID:	448897
PubChem CID:	135294372
Reduced:	SO2N9C24H41 (1)
Stoich.:	AB2C9D24E41 (1)
Weight, g/mol:	432.244664
ΔH_f, kcal/mol:	8.75
Dipole, Da:	10.97
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(1S)-1-(cyclohexanecarbonylamino)-3-(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]thiophen-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(CC(=C)N(C)CCC(C1=CC=C(S1)OC)NC(=O)C/C(=N/N)/NN)N2C(=NN=C2C(C)C)C

DOS

IR

Vibrations