Geometry & MOs

Info

ID:	264932
PubChem CID:	103504206
Reduced:	BrClNO2S2C13H19 (1)
Stoich.:	ABCD2E2F13G19 (1)
Weight, g/mol:	310.089975
ΔH_f, kcal/mol:	-82.05
Dipole, Da:	4.89
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrazol-4-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)S(=O)(=O)C2=C(SC(=C2)CCl)Br

DOS

IR

Vibrations