Geometry & MOs

Info

ID:	391455
PubChem CID:	135005357
Reduced:	NSSiO3C19H35 (1)
Stoich.:	ABCD3E19F35 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-181.53
Dipole, Da:	4.86
IP(EA), eV:	-8.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-6-(2-ethoxy-2-oxoethyl)-2-[(E)-1-phenylbut-1-en-3-yn-2-yl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H](C1=CC(=CC=C1)OC)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations