Geometry & MOs

Info

ID:	226637
PubChem CID:	87550947
Reduced:	NOSC2H4 (2)
Stoich.:	ABCD2E4 (2)
Weight, g/mol:	440.17763
ΔH_f, kcal/mol:	-98.64
Dipole, Da:	0.06
IP(EA), eV:	-9.45(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(3-methoxyphenyl)triphenylene

Drug info:

PubChemData

Smile

[C@@H]([C@@H](C(=O)N)S)(C(=O)N)S

DOS

IR

Vibrations