Geometry & MOs

Info

ID:	150074
PubChem CID:	53789760
Reduced:	N2O2S3C8H14 (1)
Stoich.:	A2B2C3D8E14 (1)
Weight, g/mol:	407.278407
ΔH_f, kcal/mol:	-45.19
Dipole, Da:	5.41
IP(EA), eV:	-9.17(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-3-(4-methylpiperazin-1-yl)propan-2-yl] hexanoate

Drug info:

PubChemData

Smile

CC(C)CCSC1=NN=C(S1)S(=O)(=O)C

DOS

IR

Vibrations