Geometry & MOs

Info

ID:	398858
PubChem CID:	135035862
Reduced:	SN3O5C28H33 (1)
Stoich.:	AB3C5D28E33 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	-103.41
Dipole, Da:	6.43
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(1H-indol-3-yl)-4-(1H-indol-6-yl)butan-2-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)S(=O)(=O)N[C@@H](C2CC3CCN2CC3C=C)C4=CC=NC5=CC=CC=C45)OC)OC

DOS

IR

Vibrations