Geometry & MOs

Info

ID:	325732
PubChem CID:	126684693
Reduced:	NSO6C28H39 (1)
Stoich.:	ABC6D28E39 (1)
Weight, g/mol:	517.249809
ΔH_f, kcal/mol:	-273.98
Dipole, Da:	5.54
IP(EA), eV:	-8.55(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC1=CSC(=C1C)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations