Geometry & MOs

Info

ID:	325731
PubChem CID:	126684684
Reduced:	NSO5C30H39 (1)
Stoich.:	ABC5D30E39 (1)
Weight, g/mol:	517.249809
ΔH_f, kcal/mol:	-187.35
Dipole, Da:	6.38
IP(EA), eV:	-8.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[3-(4-hexyl-3-methylthiophen-2-yl)-2-methylpropanoyl]-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(=C)/C(=C/C2=CC=C(S2)CCC3CCCCC3)/C)O

DOS

IR

Vibrations