Geometry & MOs

Info

ID:	338123
PubChem CID:	127258815
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	295.070071
ΔH_f, kcal/mol:	-131.37
Dipole, Da:	2.36
IP(EA), eV:	-9.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dithian-2-yl)phenyl] N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/NC(=O)OC1=CC=CC=C1C2OCCO2

DOS

IR

Vibrations