Geometry & MOs

Info

ID:	398897
PubChem CID:	135036134
Reduced:	NSO5C24H27 (1)
Stoich.:	ABC5D24E27 (1)
Weight, g/mol:	310.144319
ΔH_f, kcal/mol:	-185.04
Dipole, Da:	1.7
IP(EA), eV:	-9.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 2-hydroxy-3-phenyl-3H-indol-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@@H]3[C@H](C2)C4=CC=CC=C4C(=O)C3C(=O)OC(C)(C)C

DOS

IR

Vibrations