Geometry & MOs

Info

ID:	402503
PubChem CID:	135056207
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	299.98196
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	4.69
IP(EA), eV:	-8.47(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 2-(4-bromophenyl)-2-oxoethanethioate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)[C@@H](C3=CC=CC=C3)[C@@H](CO)O

DOS

IR

Vibrations