Geometry & MOs

Info

ID:	149513
PubChem CID:	53789186
Reduced:	ClOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	252.03017
ΔH_f, kcal/mol:	19.7
Dipole, Da:	4.79
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-1-benzofuran-2-yl)ethylideneamino]carbamic acid

Drug info:

PubChemData

Smile

CCCCC(=O)N1CCSC1CC2=C(N(N=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations