Geometry & MOs

Info

ID:	2201
PubChem CID:	6223
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	326.039499
ΔH_f, kcal/mol:	-93.19
Dipole, Da:	2.2
IP(EA), eV:	-8.39(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione

Drug info:

PubChemData

Smile

CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O

DOS

IR

Vibrations