Geometry & MOs

Info

ID:	130892
PubChem CID:	51123251
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	375.161663
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	2.67
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)NCC2CC3=CC=CC=C3O2)C(=O)C4CC4

DOS

IR

Vibrations