Geometry & MOs

Info

ID:	124554
PubChem CID:	50887219
Reduced:	IO2N4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	235.114319
ΔH_f, kcal/mol:	55.24
Dipole, Da:	7.73
IP(EA), eV:	-9.43(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(2,5-diethylphenyl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=NNC2=CC=C(C=C2)I)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations