Geometry & MOs

Info

ID:

309298

PubChem CID:

126543220

Reduced:

O3N4C21H25 (2)

Stoich.:

A3B4C21D25 (2)

Weight, g/mol:

630.154557

ΔHf, kcal/mol:

-143.4

Dipole, Da:

1.74

IP(EA), eV:

 -8.86(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[[5-[4-[6-[2-[2-(methoxycarbonylamino)acetyl]phosphanyl-1H-imidazol-5-yl]azulen-2-yl]phenyl]-1H-imidazol-2-yl]phosphanyl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C#CC3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations