Geometry & MOs

Info

ID:	60322
PubChem CID:	26683800
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	7.21
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-[(2R)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)OC

DOS

IR

Vibrations