Geometry & MOs

Info

ID:	346909
PubChem CID:	127271413
Reduced:	O2S2N5C16H25 (1)
Stoich.:	A2B2C5D16E25 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	3.8
IP(EA), eV:	-8.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)CSC3=NN=C(S3)N

DOS

IR

Vibrations