Geometry & MOs

Info

ID:	364584
PubChem CID:	127315836
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	3.76
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-N-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCN(CC1CC1)CC(=O)N2CCN(CC2)C3=C(N=C(O3)C)C#N

DOS

IR

Vibrations