Geometry & MOs

Info

ID:	158360
PubChem CID:	56463509
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	2.44
IP(EA), eV:	-9.08(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations