Geometry & MOs

Info

ID:

47204

PubChem CID:

10530626

Reduced:

NO3C16H19 (2)

Stoich.:

AB3C16D19 (2)

Weight, g/mol:

546.25799

ΔHf, kcal/mol:

-47.14

Dipole, Da:

4.19

IP(EA), eV:

 -7.9(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3E,4R,10aR)-3-[1-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropylidene]-7,8,9,10-tetrahydro-[1,2,4]diazaphospholo[4,3-c][1,2,3]benzodiazaphosphol-5-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CCN[C@@H](CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations