Geometry & MOs

Info

ID:	70173
PubChem CID:	47208380
Reduced:	O2S2N3H9C10 (1)
Stoich.:	A2B2C3D9E10 (1)
Weight, g/mol:	349.0136
ΔH_f, kcal/mol:	3.33
Dipole, Da:	1.52
IP(EA), eV:	-9.19(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)sulfanyl-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations