Geometry & MOs

Info

ID:	32595
PubChem CID:	7846941
Reduced:	NSO2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	412.182064
ΔH_f, kcal/mol:	4.18
Dipole, Da:	1.21
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-adamantylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations