Geometry & MOs

Info

ID:	338153
PubChem CID:	127258845
Reduced:	NSO3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	288.95052
ΔH_f, kcal/mol:	-89.57
Dipole, Da:	3.24
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-chlorophenyl) N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations