Geometry & MOs

Info

ID:	443939
PubChem CID:	135260620
Reduced:	ON8H22C24 (1)
Stoich.:	AB8C22D24 (1)
Weight, g/mol:	384.070131
ΔH_f, kcal/mol:	158.38
Dipole, Da:	6.4
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzylsulfanylmethyl)phenyl] methyl carbonate;methanesulfonic acid

Drug info:

PubChemData

Smile

C1CC1COCC2=CC=CC(=N2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations