Geometry & MOs

Info

ID:	37251
PubChem CID:	8018753
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	326.106671
ΔH_f, kcal/mol:	-49.92
Dipole, Da:	4.14
IP(EA), eV:	-8.77(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)SC[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations