Geometry & MOs

Info

ID:	228087
PubChem CID:	87563377
Reduced:	ClOSN3C17H20 (1)
Stoich.:	ABCD3E17F20 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	11.95
IP(EA), eV:	-8.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N.Cl

DOS

IR

Vibrations