Geometry & MOs

Info

ID:	280435
PubChem CID:	103849269
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-121.92
Dipole, Da:	6.15
IP(EA), eV:	-9.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations