Geometry & MOs

Info

ID:	371897
PubChem CID:	131278026
Reduced:	SN2O3C5H12 (1)
Stoich.:	AB2C3D5E12 (1)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-129.55
Dipole, Da:	5.49
IP(EA), eV:	-9.53(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(4,5-difluoro-2-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@@H]1CNC[C@H]1O

DOS

IR

Vibrations