Geometry & MOs

Info

ID:

422547

PubChem CID:

135118020

Reduced:

ClNO6H14C15 (1)

Stoich.:

ABC6D14E15 (1)

Weight, g/mol:

685.322397

ΔHf, kcal/mol:

-206.14

Dipole, Da:

9.29

IP(EA), eV:

 -9.51(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,6R,9S,15S)-9-benzyl-13-(cyclopropylmethyl)-15-[(1R)-1-hydroxyethyl]-4-(2-pyrazol-1-ylacetyl)-19-oxa-4,7,10,13,16-pentazatricyclo[18.3.1.02,6]tetracosa-1(24),20,22-triene-8,11,14,17-tetrone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)Cl

DOS

IR

Vibrations