Geometry & MOs

Info

ID:	400038
PubChem CID:	135044730
Reduced:	NSO2C9H11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	207.136957
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	5.19
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-deuterio-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=N)(=O)C

DOS

IR

Vibrations