Geometry & MOs

Info

ID:	325756
PubChem CID:	126684797
Reduced:	NSO6C30H41 (1)
Stoich.:	ABC6D30E41 (1)
Weight, g/mol:	505.213424
ΔH_f, kcal/mol:	-259.99
Dipole, Da:	7.27
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC/C=C/NC(=O)OC)C1=CC(=C(C(=O)O1)C(=O)C(C)CCC2=CC=C(S2)CCC3CCCCC3)O

DOS

IR

Vibrations