Geometry & MOs

Info

ID:	372310
PubChem CID:	131296080
Reduced:	ClSO2N3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	233.087435
ΔH_f, kcal/mol:	-59.77
Dipole, Da:	10.34
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-amino(thiophen-2-yl)methyl]-2,6-dimethylphenol

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(NC(=C12)N)CCl)C(=O)O

DOS

IR

Vibrations