Geometry & MOs

Info

ID:	184369
PubChem CID:	77152596
Reduced:	SN2O9C37H52 (1)
Stoich.:	AB2C9D37E52 (1)
Weight, g/mol:	434.059087
ΔH_f, kcal/mol:	-338.8
Dipole, Da:	9.4
IP(EA), eV:	-9.51(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-2-yl-[2-chloro-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)(CC=C)CN(CC(C(CC1=CC=CC=C1)N(C2COC3C2CCO3)C(=O)O)O)S(=O)(=O)C4=C(C=C(C=C4)OC)OCCCCC=C

DOS

IR

Vibrations