Geometry & MOs

Info

ID:

424885

PubChem CID:

135124319

Reduced:

SF3O4N7C35H38 (1)

Stoich.:

AB3C4D7E35F38 (1)

Weight, g/mol:

608.258103

ΔHf, kcal/mol:

-191.68

Dipole, Da:

12.8

IP(EA), eV:

 -8.9(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[(4R)-4-ethyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(1-ethyl-4-methylbenzotriazol-5-yl)-N-(2-fluoroethyl)propanamide

Drug info:

PubChemData

Smile

CCC1CN(S(C2=C(O1)N=CC=C2)(O)O)CC3=C(C=CC(=C3)C(CC(=O)NC4=CN=C(C=C4)C(F)(F)F)C5=C(C6=C(C=C5)N(N=N6)CC)C)C

DOS

IR

Vibrations