Geometry & MOs

Info

ID:	64183
PubChem CID:	29197946
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-60.15
Dipole, Da:	7.81
IP(EA), eV:	-8.48(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]-[2-(4-methoxyphenyl)ethylsulfonyl]azanide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CS(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCCC4

DOS

IR

Vibrations