Geometry & MOs

Info

ID:

422270

PubChem CID:

135117537

Reduced:

O2N3C21H33 (1)

Stoich.:

A2B3C21D33 (1)

Weight, g/mol:

562.279135

ΔHf, kcal/mol:

-75.71

Dipole, Da:

3.03

IP(EA), eV:

 -8.68(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-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

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)CC3=CC(=CC=C3)OCCN(C)C

DOS

IR

Vibrations