Geometry & MOs

Info

ID:	369173
PubChem CID:	127331475
Reduced:	NO4C20H29 (1)
Stoich.:	AB4C20D29 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-159.58
Dipole, Da:	3.2
IP(EA), eV:	-9.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations