Geometry & MOs

Info

ID:

442654

PubChem CID:

135253647

Reduced:

P2N6O27C58H102 (1)

Stoich.:

A2B6C27D58E102 (1)

Weight, g/mol:

699.30087

ΔHf, kcal/mol:

-1346.91

Dipole, Da:

11.25

IP(EA), eV:

 -9.64(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl 2-[[2-(but-3-ynoylamino)-3-phenylpropanoyl]amino]-6-[(2,2,2-trifluoroacetyl)amino]hexanoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1OCCCCC(=O)N2C[C@@H](C[C@H]2CO)OPOC[C@@H]3C[C@H](CN3C(=O)CCCCOC4C(C(C(C(O4)CO)O)O)NC(=O)C)OPOC[C@@H]5C[C@H](CN5C(=O)CCCCOC6C(C(C(C(O6)CO)O)O)NC(=O)C)OC(C)(C)C)CO)O)O

DOS

IR

Vibrations