Geometry & MOs

Info

ID:	416242
PubChem CID:	135089254
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	383.131506
ΔH_f, kcal/mol:	-96.27
Dipole, Da:	8.91
IP(EA), eV:	-9.25(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-3-methyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(C=NN2)CN3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations