Geometry & MOs

Info

ID:	380738
PubChem CID:	134971266
Reduced:	SiO7C21H42 (1)
Stoich.:	AB7C21D42 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-414.58
Dipole, Da:	3.03
IP(EA), eV:	-9.14(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]thiophen-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@@H]([C@@H]1COC(O1)(C)C)[C@@H](C)[C@@H]([C@H](C(=O)OC)O)OC(C)C

DOS

IR

Vibrations