Geometry & MOs

Info

ID:

422530

PubChem CID:

135117991

Reduced:

N4O5C22H26 (1)

Stoich.:

A4B5C22D26 (1)

Weight, g/mol:

623.331899

ΔHf, kcal/mol:

-126.15

Dipole, Da:

6.65

IP(EA), eV:

 -9.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CC3(CCN(CC3)C(=O)C4=CC5=C(C=C4)OCC5)OCCC2=O

DOS

IR

Vibrations