Geometry & MOs

Info

ID:	75099
PubChem CID:	48422992
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	2.65
IP(EA), eV:	-9.05(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations