Geometry & MOs

Info

ID:	309774
PubChem CID:	126558137
Reduced:	N2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	434.303224
ΔH_f, kcal/mol:	45.95
Dipole, Da:	2.79
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]heptanoate

Drug info:

PubChemData

Smile

CCC(C)N=C=NC1=CC=CC=C1

DOS

IR

Vibrations