Geometry & MOs

Info

ID:	194937
PubChem CID:	78610721
Reduced:	N3O5C22H24 (1)
Stoich.:	A3B5C22D24 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793599
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dipropoxyphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)NC(=O)C[N+]2=NC(=O)C3=CC=CC=C3C2=O)OCCC

DOS

IR

Vibrations