Geometry & MOs

Info

ID:	391708
PubChem CID:	135008819
Reduced:	SiO4C36H50 (1)
Stoich.:	AB4C36D50 (1)
Weight, g/mol:	360.20893
ΔH_f, kcal/mol:	-197.59
Dipole, Da:	5.26
IP(EA), eV:	-8.79(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(3,3-dimethylbut-1-en-2-yloxy)-4-methyl-4-[(E)-3-phenylprop-2-enyl]chromene

Drug info:

PubChemData

Smile

C[C@@H](COCC1=CC=CC=C1)[C@@H]([C@H](C)/C=C(\C)/C([C@@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)O

DOS

IR

Vibrations