Geometry & MOs

Info

ID:	32345
PubChem CID:	6436640
Reduced:	ClSN2O2C24H27 (1)
Stoich.:	ABC2D2E24F27 (1)
Weight, g/mol:	282.25588
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	0.5
IP(EA), eV:	-8.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-14-methylhexadec-8-enoate

Drug info:

PubChemData

Smile

CC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

DOS

IR

Vibrations