Geometry & MOs

Info

ID:	383427
PubChem CID:	134975148
Reduced:	N2S2O7C21H28 (1)
Stoich.:	A2B2C7D21E28 (1)
Weight, g/mol:	325.144295
ΔH_f, kcal/mol:	-282.7
Dipole, Da:	3.58
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4-methyl-1-pyridin-2-ylhex-1-yn-3-yl) phosphate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=S)NC[C@]23[C@@H]4[C@H](O[C@@H]3C5COC(O5)(C)C)OC(O4)(C)C

DOS

IR

Vibrations