Geometry & MOs

Info

ID:	402401
PubChem CID:	135055850
Reduced:	SiO3C27H36 (1)
Stoich.:	AB3C27D36 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-128.38
Dipole, Da:	1.91
IP(EA), eV:	-9.13(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-2-nitro-3-phenylpent-4-enoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](C/C=C\C[C@H](C(=C)O1)O)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

DOS

IR

Vibrations