Geometry & MOs

Info

ID:	339645
PubChem CID:	127261635
Reduced:	SN3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	263.145619
ΔH_f, kcal/mol:	25.16
Dipole, Da:	6.11
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-(4-propan-2-ylphenyl)butylideneamino]thiourea

Drug info:

PubChemData

Smile

CC(C/C=N/NC(=S)N)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations