Geometry & MOs

Info

ID:	39721
PubChem CID:	8142042
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-82.26
Dipole, Da:	3.67
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)NC2=NC3=C(S2)C[C@H](CC3)C

DOS

IR

Vibrations