Geometry & MOs

Info

ID:

420766

PubChem CID:

135114782

Reduced:

OSN4C11H16 (1)

Stoich.:

ABC4D11E16 (1)

Weight, g/mol:

609.316249

ΔHf, kcal/mol:

13.02

Dipole, Da:

2.55

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,7R,10S,13R,16S)-4-benzyl-10-[(1R)-1-hydroxyethyl]-13-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=NC=CS2

DOS

IR

Vibrations