Geometry & MOs

Info

ID:	176416
PubChem CID:	76045459
Reduced:	ClSO5N6H19C22 (1)
Stoich.:	ABC5D6E19F22 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-112.21
Dipole, Da:	5.44
IP(EA), eV:	-9.47(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-amino-3-hydroxypropan-2-yl)-2-methoxyphenol

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)C3=C(C(=NC(=C3C#N)SC4=CC=C(C=C4)Cl)N)C#N)CO)O

DOS

IR

Vibrations