Geometry & MOs

Info

ID:	330242
PubChem CID:	127247229
Reduced:	S2N4O4C13H16 (1)
Stoich.:	A2B4C4D13E16 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-94.49
Dipole, Da:	6.77
IP(EA), eV:	-10.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]indole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations