Geometry & MOs

Info

ID:	418707
PubChem CID:	135106625
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	-158.59
Dipole, Da:	3.33
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations