Geometry & MOs

Info

ID:	32836
PubChem CID:	7848800
Reduced:	SN3O5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	300.058006
ΔH_f, kcal/mol:	-214.36
Dipole, Da:	5.07
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyanoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations