Geometry & MOs

Info

ID:	140166
PubChem CID:	52656987
Reduced:	NO2C22H27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	4.5
IP(EA), eV:	-8.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)NCC2=CC=CC=C2OC3CCCC3

DOS

IR

Vibrations