Geometry & MOs

Info

ID:	339644
PubChem CID:	127261634
Reduced:	OSN4C5H12 (1)
Stoich.:	ABC4D5E12 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	11.61
Dipole, Da:	5.78
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(4-tert-butylphenyl)butylideneamino]thiourea

Drug info:

PubChemData

Smile

C/C(=C(/C)\NO)/NNC(=S)N

DOS

IR

Vibrations