Geometry & MOs

Info

ID:	268025
PubChem CID:	103596799
Reduced:	ClN2S2O5H21C26 (1)
Stoich.:	AB2C2D5E21F26 (1)
Weight, g/mol:	461.086784
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	7.85
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-14-phenyl-9-pyridin-3-yl-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-ene-6,13,15-trione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@@H]2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C7=CC=C(C=C7)Cl)O

DOS

IR

Vibrations