Geometry & MOs

Info

ID:	317945
PubChem CID:	126647930
Reduced:	ClPN3O9C21H27 (1)
Stoich.:	ABC3D9E21F27 (1)
Weight, g/mol:	623.246044
ΔH_f, kcal/mol:	-437.23
Dipole, Da:	3.74
IP(EA), eV:	-9.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1Z)-buta-1,3-dienyl]-6H-benzo[c]chromen-8-yl]-N-(9,9-dimethylfluoren-2-yl)dibenzo-p-dioxin-2-amine

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)O)OC3=CC=CC=C3

DOS

IR

Vibrations