Geometry & MOs

Info

ID:	139587
PubChem CID:	52566499
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	380.155849
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	5.88
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(1R)-1-cyclopropylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1CC1)N(CC2=CC=CC=C2)C(=O)CN3C(=O)CSC4=CC=CC=C43

DOS

IR

Vibrations