Geometry & MOs

Info

ID:

417495

PubChem CID:

135095556

Reduced:

N2O3C21H32 (1)

Stoich.:

A2B3C21D32 (1)

Weight, g/mol:

653.353697

ΔHf, kcal/mol:

-137.77

Dipole, Da:

8.39

IP(EA), eV:

 -8.83(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(10S,18S)-8-methyl-10-(2-methylpropyl)-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetrazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=C(C(=CC(=C2)C)CN3CCOC[C@@H]3C(=O)O)C

DOS

IR

Vibrations