Geometry & MOs

Info

ID:	325735
PubChem CID:	126684704
Reduced:	NSO6C27H37 (1)
Stoich.:	ABC6D27E37 (1)
Weight, g/mol:	557.205893
ΔH_f, kcal/mol:	-272.93
Dipole, Da:	4.78
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CCC(C)C)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations