Geometry & MOs

Info

ID:	63870
PubChem CID:	26759370
Reduced:	OSF2N3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	-84.33
Dipole, Da:	5.04
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-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