Geometry & MOs

Info

ID:

415188

PubChem CID:

135088179

Reduced:

NOC5H6 (4)

Stoich.:

ABC5D6 (4)

Weight, g/mol:

678.337712

ΔHf, kcal/mol:

-114.31

Dipole, Da:

9.85

IP(EA), eV:

 -9.16(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6S,9R,12R,15S)-6-benzyl-4,9-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclooctadec-15-yl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N3C[C@H]4CN([C@@H](C3)COC4)CC(=O)O

DOS

IR

Vibrations