Geometry & MOs

Info

ID:	380635
PubChem CID:	134971145
Reduced:	NC13H18 (2)
Stoich.:	AB13C18 (2)
Weight, g/mol:	422.248701
ΔH_f, kcal/mol:	54.03
Dipole, Da:	0.45
IP(EA), eV:	-8.5(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-[(2S)-but-3-en-2-yl]-5-but-3-en-2-yl-1,3-bis[(1S)-1-phenylethyl]-1,3,2lambda5-diazaphospholidine 2-oxide

Drug info:

PubChemData

Smile

C[C@@H](C=C)[C@H]([C@@H]([C@@H](C)C=C)N[C@@H](C)C1=CC=CC=C1)N[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations