Geometry & MOs

Info

ID:	231549
PubChem CID:	87574093
Reduced:	NH5C6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	127.23
Dipole, Da:	2.4
IP(EA), eV:	-9.02(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-amino-4-(4-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

CCC1=C(C=CC2=NC3=CC=NCC3=C21)C4=CN=CC=C4

DOS

IR

Vibrations