Geometry & MOs

Info

ID:	144445
PubChem CID:	53369245
Reduced:	OS2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	324.066759
ΔH_f, kcal/mol:	65.26
Dipole, Da:	4.5
IP(EA), eV:	-9.77(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations