Geometry & MOs

Info

ID:

219181

PubChem CID:

85091275

Reduced:

PN6O8H31C33 (1)

Stoich.:

AB6C8D31E33 (1)

Weight, g/mol:

674.425465

ΔHf, kcal/mol:

-252.95

Dipole, Da:

6.32

IP(EA), eV:

 -9.38(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(2,2-dimethylpropanoyloxymethyl)-2-ethyl-5-(1-methylimidazol-4-yl)pentanoyl]oxyethyl 4-(2,2-dimethylpropanoyloxymethyl)-2-ethyl-5-(1-methylimidazol-4-yl)pentanoate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NC(=O)C5=CC=CC=C5)COP(=O)(NC(=O)C6=CC=CC=C6)OC7=CC=CC=C7)C

DOS

IR

Vibrations