Geometry & MOs

Info

ID:	25890
PubChem CID:	632653
Reduced:	S2N3O5H13C14 (1)
Stoich.:	A2B3C5D13E14 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	9.89
IP(EA), eV:	-9.22(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(4-phenylpiperazin-1-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N

DOS

IR

Vibrations