Geometry & MOs

Info

ID:	372568
PubChem CID:	131299881
Reduced:	NSF3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	202.04415
ΔH_f, kcal/mol:	-127.19
Dipole, Da:	3.08
IP(EA), eV:	-8.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,6-difluoro-4-(hydroxymethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C(F)(F)F)C(=CS2)N

DOS

IR

Vibrations