Geometry & MOs

Info

ID:	237560
PubChem CID:	92719754
Reduced:	S2N4O5C24H28 (1)
Stoich.:	A2B4C5D24E28 (1)
Weight, g/mol:	496.123898
ΔH_f, kcal/mol:	-171.03
Dipole, Da:	4.18
IP(EA), eV:	-9.29(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(2S)-3-oxo-2-(pyrrolidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)S3)C(C)C)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations