Geometry & MOs

Info

ID:	228097
PubChem CID:	87563442
Reduced:	ISF3O4N5H21C25 (1)
Stoich.:	ABC3D4E5F21G25 (1)
Weight, g/mol:	365.06009
ΔH_f, kcal/mol:	-193.38
Dipole, Da:	2.49
IP(EA), eV:	-9.65(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-3-methoxybenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4CI

DOS

IR

Vibrations