Geometry & MOs

Info

ID:	406135
PubChem CID:	135076610
Reduced:	NSiO4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	455.230788
ΔH_f, kcal/mol:	-191.28
Dipole, Da:	4.33
IP(EA), eV:	-9.06(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(3,4-dimethoxyphenyl)-3-[5-[[(2R)-3,3-dimethylbutan-2-yl]iminomethyl]-2-methoxyphenoxy]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC[C@@](C[C@H]1O)(C(=O)C2=CC=CN2COCC[Si](C)(C)C)O

DOS

IR

Vibrations