Geometry & MOs

Info

ID:	189633
PubChem CID:	77883401
Reduced:	OSiSnC30H40 (1)
Stoich.:	ABCD30E40 (1)
Weight, g/mol:	296.083078
ΔH_f, kcal/mol:	-22.6
Dipole, Da:	2.01
IP(EA), eV:	-9.37(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitrophenyl)methylsulfanyl]ethyl 3-aminobut-2-enoate

Drug info:

PubChemData

Smile

CCCCC(C)(CC=C[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O[Si](C)(C)C

DOS

IR

Vibrations