Geometry & MOs

Info

ID:	146160
PubChem CID:	53645361
Reduced:	SN3O5C29H31 (1)
Stoich.:	AB3C5D29E31 (1)
Weight, g/mol:	360.157288
ΔH_f, kcal/mol:	-130.71
Dipole, Da:	3.47
IP(EA), eV:	-8.93(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]methanol

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3[C@H]4CCN([C@@H]4[C@H](C3=O)CC=C)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations