Geometry & MOs

Info

ID:	145751
PubChem CID:	53587714
Reduced:	SN2O4C16H24 (1)
Stoich.:	AB2C4D16E24 (1)
Weight, g/mol:	319.116821
ΔH_f, kcal/mol:	-161.02
Dipole, Da:	7.7
IP(EA), eV:	-8.75(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-(furan-3-ylmethyl)-3-(2-methoxy-5-nitrophenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCNS(=O)(=O)C2CCCN(C2)C(=O)C

DOS

IR

Vibrations