Geometry & MOs

Info

ID:	418779
PubChem CID:	135106790
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-197.32
Dipole, Da:	4.23
IP(EA), eV:	-9.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)OC

DOS

IR

Vibrations