Geometry & MOs

Info

ID:	384125
PubChem CID:	134976383
Reduced:	NSO2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	446.220682
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	3.72
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-methyl-4-tributylstannylpent-3-en-2-yl] propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)N[C@H](C2=CCCC2=O)C3=CC=CC=C3

DOS

IR

Vibrations