Geometry & MOs

Info

ID:	53298
PubChem CID:	14710184
Reduced:	OSN4H10C14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	186.071451
ΔH_f, kcal/mol:	72.04
Dipole, Da:	5.59
IP(EA), eV:	-9.51(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-methyl-1-(2-oxopropylsulfanyl)pent-1-en-3-one

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C3=C(C=N2)C(=O)N4C(=NC=N4)S3

DOS

IR

Vibrations