Geometry & MOs

Info

ID:	406337
PubChem CID:	135077261
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-100.11
Dipole, Da:	5.1
IP(EA), eV:	-9.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC1(C2CC[C@@]13CS(=O)(=O)N(C3C2)C(=O)/C=N/OCC4=CC=CC=C4)C

DOS

IR

Vibrations