Geometry & MOs

Info

ID:

415567

PubChem CID:

135088563

Reduced:

ClSO2N3C16H16 (1)

Stoich.:

ABC2D3E16F16 (1)

Weight, g/mol:

752.389748

ΔHf, kcal/mol:

-2.01

Dipole, Da:

1.94

IP(EA), eV:

 -8.92(-0.9)

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-(3-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C3=NC4=C(S3)C=C(C=C4)Cl

DOS

IR

Vibrations