Geometry & MOs

Info

ID:	171377
PubChem CID:	75369032
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	432.150764
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	3.72
IP(EA), eV:	-8.8(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)COC2=C(C=CC=C2OC)C(=O)N(C)C)C

DOS

IR

Vibrations