Geometry & MOs

Info

ID:	224071
PubChem CID:	85337813
Reduced:	BClN4O4C29H34 (1)
Stoich.:	ABC4D4E29F34 (1)
Weight, g/mol:	549.08544
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	5.19
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[5-(5-bromothiophen-2-yl)-3-hydroxypent-1-enyl]-3,5-dihydroxycyclopentyl]-N-methylsulfonylhept-5-enamide

Drug info:

PubChemData

Smile

B1(OC2=CC3CC(C3(C)C)C2(O1)C)C(CC=C)NC(=O)C4CCC5=C(N=C(C(=O)N45)NCC6=CC=CC=C6)Cl

DOS

IR

Vibrations