Geometry & MOs

Info

ID:	258589
PubChem CID:	103155502
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-68.95
Dipole, Da:	3.71
IP(EA), eV:	-8.75(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1,3-benzothiazol-2-ylmethyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

CN(C)CC(C1=CC=CC=C1)NC(=O)CC(CN)OC

DOS

IR

Vibrations