Geometry & MOs

Info

ID:	147365
PubChem CID:	53787021
Reduced:	N5O8C15H21 (1)
Stoich.:	A5B8C15D21 (1)
Weight, g/mol:	204.093249
ΔH_f, kcal/mol:	-289.35
Dipole, Da:	2.15
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylpiperazin-1-yl)-2-sulfanylethyl] formate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)N

DOS

IR

Vibrations