Geometry & MOs

Info

ID:	67411
PubChem CID:	46506423
Reduced:	S2N3O3C20H25 (1)
Stoich.:	A2B3C3D20E25 (1)
Weight, g/mol:	387.141676
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	7.43
IP(EA), eV:	-8.86(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)CCCN1C(=O)C2=C(C3=CC=CC=C3S2)NC1=S

DOS

IR

Vibrations