Geometry & MOs

Info

ID:	228086
PubChem CID:	87563371
Reduced:	INO3H8C9 (1)
Stoich.:	ABC3D8E9 (1)
Weight, g/mol:	349.101561
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	4.74
IP(EA), eV:	-9.39(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-4-propylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(=O)O)N)C(=O)CI

DOS

IR

Vibrations