Geometry & MOs

Info

ID:	43587
PubChem CID:	10321502
Reduced:	ClNO8H20C21 (1)
Stoich.:	ABC8D20E21 (1)
Weight, g/mol:	448.13799
ΔH_f, kcal/mol:	-310.26
Dipole, Da:	2.63
IP(EA), eV:	-8.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-1-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-hydroxycyclopentyl]methyl 2-bromo-4-chlorobutanoate

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

DOS

IR

Vibrations