Geometry & MOs

Info

ID:	437341
PubChem CID:	135225653
Reduced:	SN2O6C29H40 (1)
Stoich.:	AB2C6D29E40 (1)
Weight, g/mol:	594.200216
ΔH_f, kcal/mol:	-229.73
Dipole, Da:	7.42
IP(EA), eV:	-8.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-5-[4-[3-[5-[3-acetyloxy-5-(1-hydroxyethoxy)phenyl]-1H-pyrrol-3-yl]phenyl]-1H-pyrrol-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C1)C[C@H](CC2=CC3=C(C=C2)OCCO3)NC(=O)CCCCCS(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations