Geometry & MOs

Info

ID:	28276
PubChem CID:	826726
Reduced:	SN2O2C16H16 (1)
Stoich.:	AB2C2D16E16 (1)
Weight, g/mol:	347.9932
ΔH_f, kcal/mol:	-31.52
Dipole, Da:	2.75
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromophenyl)carbamothioyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=CC=C2)OC

DOS

IR

Vibrations