Geometry & MOs

Info

ID:	325754
PubChem CID:	126684782
Reduced:	NF3O6C26H30 (1)
Stoich.:	AB3C6D26E30 (1)
Weight, g/mol:	501.272653
ΔH_f, kcal/mol:	-402.09
Dipole, Da:	7.87
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[5-[4-hydroxy-5-[2-methyl-3-(2-methyl-4-propan-2-yloxyphenyl)butanoyl]-6-oxopyran-2-yl]hexyl]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(C=C2)CCC(F)(F)F)O

DOS

IR

Vibrations