Geometry & MOs

Info

ID:

215100

PubChem CID:

85084155

Reduced:

N2O18C29H38 (1)

Stoich.:

A2B18C29D38 (1)

Weight, g/mol:

702.256699

ΔHf, kcal/mol:

-800.65

Dipole, Da:

0.93

IP(EA), eV:

 -10.2(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[2-[4-(diaminomethylideneamino)phenyl]-1-diphenoxyphosphorylethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N1C2C(C(C(C2(COC(=O)C)O)OC(=O)C)OC(=O)C)OC1=NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations