Geometry & MOs

Info

ID:	325757
PubChem CID:	126684803
Reduced:	NSO7C26H35 (1)
Stoich.:	ABC7D26E35 (1)
Weight, g/mol:	511.293388
ΔH_f, kcal/mol:	-291.29
Dipole, Da:	3.57
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOCC1=CC=C(S1)CC(C)(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations