Geometry & MOs

Info

ID:	399556
PubChem CID:	135040924
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	5.78
IP(EA), eV:	-8.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-(3-tert-butylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC2=NC=C(N12)NC(C)(C)C

DOS

IR

Vibrations