Geometry & MOs

Info

ID:	365256
PubChem CID:	127317601
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	-108.16
Dipole, Da:	5.97
IP(EA), eV:	-8.51(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]propan-1-one

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)C4CCC4)O)C

DOS

IR

Vibrations