Geometry & MOs

Info

ID:

420953

PubChem CID:

135115117

Reduced:

ClSN3O5C13H18 (1)

Stoich.:

ABC3D5E13F18 (1)

Weight, g/mol:

675.338047

ΔHf, kcal/mol:

-190.48

Dipole, Da:

7.37

IP(EA), eV:

 -9.4(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S,7R,10S,13R,16S)-4-benzyl-10-[(1R)-1-hydroxyethyl]-13-methyl-6,9,12,15-tetraoxo-7-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.2.2]docosa-1(20),18,21-trien-16-yl]-1-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CNC(=O)C(=C2)Cl

DOS

IR

Vibrations