Geometry & MOs

Info

ID:	149869
PubChem CID:	53789548
Reduced:	NC17H21 (1)
Stoich.:	AB17C21 (1)
Weight, g/mol:	450.243995
ΔH_f, kcal/mol:	25.78
Dipole, Da:	1.37
IP(EA), eV:	-8.73(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[(2S,4S)-2,4-dihydroxy-2-[5-(2-methylthiophen-3-yl)pentanoyl]cyclopentyl]hept-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)NCC2=CC=CC=C2

DOS

IR

Vibrations