Geometry & MOs

Info

ID:

417258

PubChem CID:

135091801

Reduced:

ClN2O4C18H23 (1)

Stoich.:

AB2C4D18E23 (1)

Weight, g/mol:

519.248169

ΔHf, kcal/mol:

-92.89

Dipole, Da:

6.54

IP(EA), eV:

 -9.26(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[(1,4,5-trimethylimidazol-2-yl)methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)Cl

DOS

IR

Vibrations