Geometry & MOs

Info

ID:	146171
PubChem CID:	53647455
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	130.05647
ΔH_f, kcal/mol:	8.86
Dipole, Da:	4.25
IP(EA), eV:	-8.78(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enylthiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC=C(O2)CSCCNC3=NC=C(N3)O

DOS

IR

Vibrations