Geometry & MOs

Info

ID:	67382
PubChem CID:	46506380
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	406.076947
ΔH_f, kcal/mol:	-5.31
Dipole, Da:	8.8
IP(EA), eV:	-7.97(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-(4-nitrophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=C(NC2=S)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations