Geometry & MOs

Info

ID:	43575
PubChem CID:	10321488
Reduced:	SN3O6C21H27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	-162.47
Dipole, Da:	6.45
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2S)-4-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-1-(3-methylbutyl)-3,5-dioxopyrrolidin-2-yl]butanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COC2CCN(CC2)S(=O)(=O)CC(C3=CN=CC=C3)N(C=O)O

DOS

IR

Vibrations