Geometry & MOs

Info

ID:	231571
PubChem CID:	87574161
Reduced:	ClN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-130.81
Dipole, Da:	4.85
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-amino-3-(3-aminophenyl)phenoxy] ethanethioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1(CC1)CNC2=CC(=C(N=C2)Cl)C3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations