Geometry & MOs

Info

ID:	360310
PubChem CID:	127300953
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-44.0
Dipole, Da:	5.63
IP(EA), eV:	-9.13(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CCNC(=O)C3=CSC=C3

DOS

IR

Vibrations