Geometry & MOs

Info

ID:	388136
PubChem CID:	134988294
Reduced:	NO2S2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-39.62
Dipole, Da:	3.87
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-2-isocyanato-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(=O)SC(=S)N(C)C

DOS

IR

Vibrations