Geometry & MOs

Info

ID:	131580
PubChem CID:	51230558
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	398.104876
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	3.48
IP(EA), eV:	-8.71(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]acetyl]amino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=CC=CC=C3C(=O)NCC=C

DOS

IR

Vibrations