Geometry & MOs

Info

ID:	397300
PubChem CID:	135030013
Reduced:	SiO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	-129.72
Dipole, Da:	2.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124117
Charge, e:	0

Chem-info

IUPAC name:

phenyl (3S)-3-(2-phenylethylsulfanyl)butanoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCC=C1C=CC(=[O+]C)C=C1

DOS

IR

Vibrations