Geometry & MOs

Info

ID:	184997
PubChem CID:	77239292
Reduced:	SF2O3N7C28H39 (1)
Stoich.:	AB2C3D7E28F39 (1)
Weight, g/mol:	713.05247
ΔH_f, kcal/mol:	-155.52
Dipole, Da:	4.0
IP(EA), eV:	-8.13(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-chloro-3-[hydroxy-(4-iodophenyl)methyl]indol-1-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(CN(CC2C1NNC2NC(=O)C3=C(C=C(C=C3)N(C)C)NCC4CCCN4)S(=O)(=O)C5=CC(=CC(=C5)F)F)C

DOS

IR

Vibrations