Geometry & MOs

Info

ID:	204009
PubChem CID:	79900379
Reduced:	O2S2N3C14H19 (1)
Stoich.:	A2B2C3D14E19 (1)
Weight, g/mol:	317.084555
ΔH_f, kcal/mol:	-42.22
Dipole, Da:	5.15
IP(EA), eV:	-8.25(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CS1)NC2=C(C(=CC(=C2)N)S(=O)(=O)N)C

DOS

IR

Vibrations