Geometry & MOs

Info

ID:	280285
PubChem CID:	103848209
Reduced:	ClN2S2O4C9H13 (1)
Stoich.:	AB2C2D4E9F13 (1)
Weight, g/mol:	247.118399
ΔH_f, kcal/mol:	-137.5
Dipole, Da:	4.15
IP(EA), eV:	-9.95(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)Cl)S(=O)(=O)NCC2(CCOC2)O

DOS

IR

Vibrations