Geometry & MOs

Info

ID:	70690
PubChem CID:	48413727
Reduced:	N3O6C21H25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-119.04
Dipole, Da:	3.82
IP(EA), eV:	-8.64(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations