Geometry & MOs

Info

ID:	46697
PubChem CID:	10526377
Reduced:	O3C28H40 (1)
Stoich.:	A3B28C40 (1)
Weight, g/mol:	424.243372
ΔH_f, kcal/mol:	-138.55
Dipole, Da:	5.26
IP(EA), eV:	-8.91(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)CC(=O)O)O)/C)/C)/C)C

DOS

IR

Vibrations