Geometry & MOs

Info

ID:

415965

PubChem CID:

135088970

Reduced:

O2N5C17H25 (1)

Stoich.:

A2B5C17D25 (1)

Weight, g/mol:

713.390082

ΔHf, kcal/mol:

-51.17

Dipole, Da:

8.05

IP(EA), eV:

 -9.16(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-benzyl-N-[(8S,12R,15S,18S,20R)-8-[(4-hydroxyphenyl)methyl]-12-methyl-2,7,10,17-tetraoxo-15-propan-2-yl-1,6,9,16-tetrazabicyclo[16.3.0]henicosan-20-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CCC3=NNC(=C3C)C

DOS

IR

Vibrations