Geometry & MOs

Info

ID:	217762
PubChem CID:	85088345
Reduced:	SO2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	396.32396
ΔH_f, kcal/mol:	-137.26
Dipole, Da:	2.14
IP(EA), eV:	-8.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-hydroxy-2-oxopropyl)icos-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C23S(=O)C4(S3=O)C5CCC(C4=O)(C5(C)C)C)C)C

DOS

IR

Vibrations