Geometry & MOs

Info

ID:	189301
PubChem CID:	77839485
Reduced:	ClSN5O8C35H58 (1)
Stoich.:	ABC5D8E35F58 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	-402.56
Dipole, Da:	8.59
IP(EA), eV:	-8.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopentyl-3-hydroxybut-1-enyl)-3,6-dihydroxy-8-methylbicyclo[4.2.0]octan-7-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(C(=O)NCC(=O)N(C(=O)C(CCS(=O)C)N)C(=O)C(CC2CCCCC2)N(C)CCCCCC(=O)OC)N)C)O.Cl

DOS

IR

Vibrations