Geometry & MOs

Info

ID:	436336
PubChem CID:	135199103
Reduced:	FN2O6C25H33 (1)
Stoich.:	AB2C6D25E33 (1)
Weight, g/mol:	541.240565
ΔH_f, kcal/mol:	-275.75
Dipole, Da:	8.23
IP(EA), eV:	-9.1(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-10-(3-phenanthren-3-ylphenyl)-22-oxa-9-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-2(11),4,6,9,12,15(20),16-heptaene

Drug info:

PubChemData

Smile

CCC(CC)[C@H](C1=C(C=C(C=C1)F)OC)[C@H](C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2O)OC

DOS

IR

Vibrations