Geometry & MOs

Info

ID:

421883

PubChem CID:

135116770

Reduced:

O2N5C24H27 (1)

Stoich.:

A2B5C24D27 (1)

Weight, g/mol:

454.185235

ΔHf, kcal/mol:

-26.16

Dipole, Da:

3.69

IP(EA), eV:

 -8.45(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(2-aminoacetyl)-13-methoxy-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

C1CCC2=C(C1)C(=NC(=N2)N)C(=O)N3CCC4(CC3)C5=C(CCO4)C6=CC=CC=C6N5

DOS

IR

Vibrations