Geometry & MOs

Info

ID:	218330
PubChem CID:	85089182
Reduced:	SN2O6C21H40 (1)
Stoich.:	AB2C6D21E40 (1)
Weight, g/mol:	448.318875
ΔH_f, kcal/mol:	-312.02
Dipole, Da:	5.05
IP(EA), eV:	-9.14(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-4-[(2-hydroxy-2-methyl-5-propan-2-ylcyclopentyl)methyl]-6-methyl-2-(2-methylbutanoyl)-6-(3-methylbutyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCOC1CCNC(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)C

DOS

IR

Vibrations