Geometry & MOs

Info

ID:	397127
PubChem CID:	135029765
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	518.208673
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	7.94
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,3'S,4S)-3,3',4-trihydroxy-3'-[2-[(4-methylphenyl)sulfonylamino]ethyl]spiro[cyclopentane-1,2'-indole]-1'-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC[C@]23C[C@@H](C=CC2=NC4=CC=CC=C34)O

DOS

IR

Vibrations