Geometry & MOs

Info

ID:

417928

PubChem CID:

135103081

Reduced:

ClO2N4C16H25 (1)

Stoich.:

AB2C4D16E25 (1)

Weight, g/mol:

564.2584

ΔHf, kcal/mol:

-15.04

Dipole, Da:

3.38

IP(EA), eV:

 -8.9(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[3-(2-oxoazepan-1-yl)propanoyl]-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

CCCCC1=NC(=C(N1)CN2C[C@@H]3COC[C@H](C2)N(C3=O)C)Cl

DOS

IR

Vibrations