Geometry & MOs

Info

ID:	63869
PubChem CID:	26759369
Reduced:	OSF2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	297.07474
ΔH_f, kcal/mol:	-84.46
Dipole, Da:	4.41
IP(EA), eV:	-8.91(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,5-difluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)SC2=NC=CN2C

DOS

IR

Vibrations