Geometry & MOs

Info

ID:	325742
PubChem CID:	126684726
Reduced:	NO7C28H37 (1)
Stoich.:	AB7C28D37 (1)
Weight, g/mol:	517.138208
ΔH_f, kcal/mol:	-299.19
Dipole, Da:	4.33
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[2-methyl-3-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]propanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)CCC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations