Geometry & MOs

Info

ID:	147296
PubChem CID:	53786951
Reduced:	NSO3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-91.6
Dipole, Da:	2.71
IP(EA), eV:	-8.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-formyl-6-methylphenyl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3C(C2)OCCN4CCC(CC4)C(=O)O

DOS

IR

Vibrations