Geometry & MOs

Info

ID:

415490

PubChem CID:

135088486

Reduced:

ClN4C16H23 (1)

Stoich.:

AB4C16D23 (1)

Weight, g/mol:

680.364596

ΔHf, kcal/mol:

37.66

Dipole, Da:

5.14

IP(EA), eV:

 -8.83(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-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]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations