Geometry & MOs

Info

ID:	51328
PubChem CID:	12013975
Reduced:	NO2C20H21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	388.122832
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	3.79
IP(EA), eV:	-8.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[(2S)-butan-2-yl]oxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

Drug info:

PubChemData

Smile

C1COCCN1C2=C([C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)C5=CC=CC=C5

DOS

IR

Vibrations