Geometry & MOs

Info

ID:	184260
PubChem CID:	77136578
Reduced:	N2O3C34H48 (1)
Stoich.:	A2B3C34D48 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-74.91
Dipole, Da:	4.3
IP(EA), eV:	-8.52(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dioxo-4a,5,6,7,8,8a-hexahydro-4,1lambda6,2-benzoxathiazin-3-yl)amino]-4-phenylbutan-1-ol

Drug info:

PubChemData

Smile

CCNC(=O)CCC12CCC(CC1C3C(=O)C=C4C(C3(CC2)C)(CCC5C4(C=C(C(=O)C5C)C#N)C)C)(C)C

DOS

IR

Vibrations