Geometry & MOs

Info

ID:	194225
PubChem CID:	78501062
Reduced:	SO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	30.69
Dipole, Da:	4.56
IP(EA), eV:	-8.35(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC3=CC=CC4=CC=CC(=N2)C43

DOS

IR

Vibrations