Geometry & MOs

Info

ID:	64181
PubChem CID:	29197888
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	2.88
IP(EA), eV:	-8.71(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylethyl]-[(3-methoxyphenyl)methylsulfonyl]azanide

Drug info:

PubChemData

Smile

CC[C@@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

DOS

IR

Vibrations