Geometry & MOs

Info

ID:	371657
PubChem CID:	131270170
Reduced:	F3H3O3N4C6 (1)
Stoich.:	A3B3C3D4E6 (1)
Weight, g/mol:	272.97819
ΔH_f, kcal/mol:	-185.67
Dipole, Da:	4.54
IP(EA), eV:	-10.67(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(S)-amino(thiophen-2-yl)methyl]-3,5-dichlorophenol

Drug info:

PubChemData

Smile

C12=C(N(C(=O)NC1=O)N)ON=C2C(F)(F)F

DOS

IR

Vibrations