Geometry & MOs

Info

ID:	234516
PubChem CID:	92298595
Reduced:	SN3O4H13C20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	567.95086
ΔH_f, kcal/mol:	40.75
Dipole, Da:	1.09
IP(EA), eV:	-9.21(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-anilino-3-(3,6-diiodocarbazol-9-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])/S2

DOS

IR

Vibrations