Geometry & MOs

Info

ID:	128311
PubChem CID:	51038680
Reduced:	S2O4N5H21C23 (1)
Stoich.:	A2B4C5D21E23 (1)
Weight, g/mol:	193.109422
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	2.24
IP(EA), eV:	-9.21(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dideuterio-2-(2,5,6-trideuterio-4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)NCC(=O)O)C(CC2=CC=C(C=C2)C3=NC=CS3)NS(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations