Geometry & MOs

Info

ID:	30530
PubChem CID:	841457
Reduced:	SN2O4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	279.140533
ΔH_f, kcal/mol:	14.66
Dipole, Da:	5.09
IP(EA), eV:	-9.49(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-methoxyphenyl)piperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC(=NOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CS2

DOS

IR

Vibrations