Geometry & MOs

Info

ID:	184993
PubChem CID:	77238660
Reduced:	ClSF3N3O5H27C28 (1)
Stoich.:	ABC3D3E5F27G28 (1)
Weight, g/mol:	615.187124
ΔH_f, kcal/mol:	-305.63
Dipole, Da:	3.46
IP(EA), eV:	-9.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)NCC3=CC=CC=C3OC(F)(F)F)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations