Geometry & MOs

Info

ID:	357223
PubChem CID:	127293727
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-40.0
Dipole, Da:	8.03
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(S2)C(=O)NC3=NNC(=C3)C4CC4

DOS

IR

Vibrations