Geometry & MOs

Info

ID:

43496

PubChem CID:

10321389

Reduced:

NSF2O4C23H23 (1)

Stoich.:

ABC2D4E23F23 (1)

Weight, g/mol:

447.146407

ΔHf, kcal/mol:

-223.52

Dipole, Da:

4.89

IP(EA), eV:

 -9.54(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4S)-4-(hydroxymethyl)-2,15-dioxo-11-oxa-3,14-diazatricyclo[14.3.1.16,10]henicosa-1(19),6(21),7,9,16(20),17-hexaen-18-yl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1C(N(C(=O)S1)CCCC2=CC=C(C=C2)C(=O)O)/C=C/C(C(C3=CC=CC=C3)(F)F)O

DOS

IR

Vibrations