Geometry & MOs

Info

ID:	227909
PubChem CID:	87562961
Reduced:	O3N4H18C22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	349.065176
ΔH_f, kcal/mol:	49.35
Dipole, Da:	3.51
IP(EA), eV:	-9.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-4-methylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC(=CC(=N1)C2=CC=C(C=C2)C#CC3=CN=CC=C3)C(=O)NO

DOS

IR

Vibrations