Geometry & MOs

Info

ID:	424432
PubChem CID:	135122666
Reduced:	SO2F3N5H28C29 (1)
Stoich.:	AB2C3D5E28F29 (1)
Weight, g/mol:	116.069811
ΔH_f, kcal/mol:	-111.09
Dipole, Da:	1.07
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2,2-diaminoethylideneurea

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1N\2C(=O)CS/C2=N\N=C\C(=C\C3=CN=C(C=C3)N(C)C4=CC=C(C=C4)OC(F)(F)F)\C

DOS

IR

Vibrations