Geometry & MOs

Info

ID:	325746
PubChem CID:	126684740
Reduced:	NO7C26H33 (1)
Stoich.:	AB7C26D33 (1)
Weight, g/mol:	525.182124
ΔH_f, kcal/mol:	-291.52
Dipole, Da:	2.89
IP(EA), eV:	-8.45(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-5-[4-hydroxy-5-[2-methyl-3-[5-(4-methylphenoxy)thiophen-2-yl]propanoyl]-6-oxopyran-2-yl]hex-1-enyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(C=C1)OC(C)C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations