Geometry & MOs

Info

ID:	221465
PubChem CID:	85273737
Reduced:	NH19C23 (1)
Stoich.:	AB19C23 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	95.3
Dipole, Da:	2.31
IP(EA), eV:	-8.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(2-acetamidoethyl) 2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CCC2=C(NC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations