Geometry & MOs

Info

ID:

16404

PubChem CID:

467083

Reduced:

SN4O6C32H48 (1)

Stoich.:

AB4C6D32E48 (1)

Weight, g/mol:

616.329456

ΔHf, kcal/mol:

-265.73

Dipole, Da:

9.33

IP(EA), eV:

 -8.31(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[(2R)-2-[(10S)-8,11-dioxo-10-propan-2-yl-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl]-2-hydroxyethyl]-N-(3-methylbutyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CCN(C[C@H](C1CC2=CC=C(C=C2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations