Geometry & MOs

Info

ID:	188409
PubChem CID:	77712172
Reduced:	ClSO3N5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	375.97844
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	2.54
IP(EA), eV:	-8.9(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,6-trichloro-4-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-indole-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)C=CC5=CC=C(S5)Cl)O)O

DOS

IR

Vibrations