Geometry & MOs

Info

ID:	67419
PubChem CID:	46506446
Reduced:	O2S2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	7.27
IP(EA), eV:	-8.78(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-ethylpiperazine-1-carbothioyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

DOS

IR

Vibrations