Geometry & MOs

Info

ID:	411593
PubChem CID:	135084425
Reduced:	SO2H10C13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	2.86
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)but-3-ynyl carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=O)/C=C/C2=CC=CS2

DOS

IR

Vibrations