Geometry & MOs

Info

ID:	268800
PubChem CID:	103601005
Reduced:	FSN2O5H9C12 (1)
Stoich.:	ABC2D5E9F12 (1)
Weight, g/mol:	244.19732
ΔH_f, kcal/mol:	-121.21
Dipole, Da:	6.34
IP(EA), eV:	-9.6(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1,1-bis(3-methylbutyl)thiourea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations