Geometry & MOs

Info

ID:	156747
PubChem CID:	56374101
Reduced:	FSBr2N2O3H15C16 (1)
Stoich.:	ABC2D2E3F15G16 (1)
Weight, g/mol:	389.11085
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	7.12
IP(EA), eV:	-8.99(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(difluoromethoxy)phenyl]sulfonyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C)NS(=O)(=O)C2=C(C=C(C=C2Br)F)Br

DOS

IR

Vibrations