Geometry & MOs

Info

ID:

326554

PubChem CID:

126687770

Reduced:

N8O11C48H74 (1)

Stoich.:

A8B11C48D74 (1)

Weight, g/mol:

313.140708

ΔHf, kcal/mol:

-503.76

Dipole, Da:

6.86

IP(EA), eV:

 -9.09(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[difluoro-[4-[(2-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-yl]methyl]phosphane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NCCOC)O)N

DOS

IR

Vibrations