Geometry & MOs

Info

ID:	369233
PubChem CID:	127331550
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-138.31
Dipole, Da:	2.92
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations