Geometry & MOs

Info

ID:

304668

PubChem CID:

124766036

Reduced:

N2O5H24C27 (1)

Stoich.:

A2B5C24D27 (1)

Weight, g/mol:

646.304973

ΔHf, kcal/mol:

-115.26

Dipole, Da:

3.39

IP(EA), eV:

 -9.19(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[N-[2-(benzotriazol-1-yl)acetyl]-4-[(2R)-2-methylpiperidin-1-yl]sulfonylanilino]-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@H]([C@H](N1)C3=CC=C(C=C3)O)C(=O)N(C2=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations