Geometry & MOs

Info

ID:	158890
PubChem CID:	57244146
Reduced:	NSO4C7H7 (1)
Stoich.:	ABC4D7E7 (1)
Weight, g/mol:	478.152872
ΔH_f, kcal/mol:	-116.48
Dipole, Da:	4.27
IP(EA), eV:	-10.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19S)-19-ethyl-19-hydroxy-6-(3-oxo-3-phenylprop-1-enyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NS(=O)(=O)C(=O)O

DOS

IR

Vibrations