Geometry & MOs

Info

ID:	122611
PubChem CID:	50814506
Reduced:	NOH4C5 (4)
Stoich.:	ABC4D5 (4)
Weight, g/mol:	477.172228
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	2.18
IP(EA), eV:	-8.88(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylcarbamoyl)phenyl]-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=O)C(=CN=C3O2)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations