Geometry & MOs

Info

ID:	150817
PubChem CID:	53790513
Reduced:	SN3O5C33H33 (1)
Stoich.:	AB3C5D33E33 (1)
Weight, g/mol:	144.11503
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	5.71
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methoxybut-2-ene;propan-2-one

Drug info:

PubChemData

Smile

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)C=C(C=C2)NS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations