Geometry & MOs

Info

ID:	338152
PubChem CID:	127258844
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	265.077265
ΔH_f, kcal/mol:	-52.18
Dipole, Da:	2.6
IP(EA), eV:	-8.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylsulfanylacetyl)phenyl] N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/NC(=O)OC1=CC=C(C=C1)SC

DOS

IR

Vibrations