Geometry & MOs

Info

ID:	49595
PubChem CID:	11533330
Reduced:	SO4N5C25H29 (1)
Stoich.:	AB4C5D25E29 (1)
Weight, g/mol:	495.14428
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	3.94
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[(1R,2S)-2-[(E,3S)-5-(4-bromo-5-methylthiophen-2-yl)-3-hydroxypent-1-enyl]-3-ethenyl-5-hydroxycyclopentyl]hept-5-enamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC=C(C=C1)C2=CN=C3NC4=CC(=CC=C4)S(=O)(=O)NCCCCNC2=N3

DOS

IR

Vibrations