Geometry & MOs

Info

ID:	228259
PubChem CID:	87563758
Reduced:	NO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	421.12269
ΔH_f, kcal/mol:	27.08
Dipole, Da:	5.02
IP(EA), eV:	-9.19(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)-sulfanylcarbamoyl]-4-pentylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=N1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C=O

DOS

IR

Vibrations