Geometry & MOs

Info

ID:	66307
PubChem CID:	46504183
Reduced:	ClOSN3C21H28 (1)
Stoich.:	ABCD3E21F28 (1)
Weight, g/mol:	447.20142
ΔH_f, kcal/mol:	1.81
Dipole, Da:	5.4
IP(EA), eV:	-8.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[butyl(methyl)amino]propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations