Geometry & MOs

Info

ID:	204372
PubChem CID:	79955811
Reduced:	BrSO2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	265.150036
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	4.81
IP(EA), eV:	-8.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-5,5-dimethylthian-3-amine

Drug info:

PubChemData

Smile

CC1(CCSCC1(CC2=C(C=CC(=C2)OC)Br)O)C

DOS

IR

Vibrations