Geometry & MOs

Info

ID:

418592

PubChem CID:

135105994

Reduced:

O3N4C18H24 (1)

Stoich.:

A3B4C18D24 (1)

Weight, g/mol:

754.335998

ΔHf, kcal/mol:

-75.01

Dipole, Da:

2.66

IP(EA), eV:

 -9.53(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S,9S,12S,19S)-3-benzyl-9-ethyl-6-[(1R)-1-hydroxyethyl]-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]-2-(4-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations