Geometry & MOs

Info

ID:	325739
PubChem CID:	126684719
Reduced:	NSO7C22H27 (1)
Stoich.:	ABC7D22E27 (1)
Weight, g/mol:	541.303953
ΔH_f, kcal/mol:	-259.89
Dipole, Da:	8.88
IP(EA), eV:	-8.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[5-[4-[3-(3,3-dimethylbutoxy)phenyl]-2,3-dimethylbutanoyl]-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)CC2=CC=C(S2)OC)O

DOS

IR

Vibrations