Geometry & MOs

Info

ID:	391462
PubChem CID:	135005413
Reduced:	INSO2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	6.79
IP(EA), eV:	-9.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-formyl-5-methyl-2-methylidenehexanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CC=C(C2)I

DOS

IR

Vibrations