Geometry & MOs

Info

ID:	124158
PubChem CID:	50873653
Reduced:	BrNS3O4H16C23 (1)
Stoich.:	ABC3D4E16F23 (1)
Weight, g/mol:	276.075491
ΔH_f, kcal/mol:	-27.0
Dipole, Da:	3.91
IP(EA), eV:	-9.09(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-3-methylphenyl)disulfanyl]-6-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)OC(=O)C4=CC=CS4)OC)/SC2=S

DOS

IR

Vibrations