Geometry & MOs

Info

ID:	325751
PubChem CID:	126684770
Reduced:	SN2O6C25H34 (1)
Stoich.:	AB2C6D25E34 (1)
Weight, g/mol:	515.158943
ΔH_f, kcal/mol:	-254.16
Dipole, Da:	5.44
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCC1=NC=C(S1)CC(C)C(=O)C2=C(C=C(OC2=O)C(C)CC/C=C/NC(=O)OC)O

DOS

IR

Vibrations