Geometry & MOs

Info

ID:	357234
PubChem CID:	127293738
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-174.25
Dipole, Da:	7.78
IP(EA), eV:	-9.52(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(4-methylmorpholin-2-yl)methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1(CC2=C(C=C(C(=O)N2)C(=O)N3CCC(=O)NCC3)C(=O)C1)C

DOS

IR

Vibrations