Geometry & MOs

Info

ID:	39521
PubChem CID:	8141148
Reduced:	SN3O5H13C18 (1)
Stoich.:	AB3C5D13E18 (1)
Weight, g/mol:	410.093643
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	4.85
IP(EA), eV:	-8.71(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-propanoylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations