Geometry & MOs

Info

ID:	271541
PubChem CID:	103682899
Reduced:	ClSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	412.94828
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	7.28
IP(EA), eV:	-8.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl)(CSC)O

DOS

IR

Vibrations