Geometry & MOs

Info

ID:

423385

PubChem CID:

135119404

Reduced:

NO3C14H25 (1)

Stoich.:

AB3C14D25 (1)

Weight, g/mol:

745.416297

ΔHf, kcal/mol:

-165.86

Dipole, Da:

3.96

IP(EA), eV:

 -8.73(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-2-ethyl-5-propan-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)CCCCC(=O)O)O

DOS

IR

Vibrations