Geometry & MOs

Info

ID:

160022

PubChem CID:

57304391

Reduced:

SN3O4C23H31 (1)

Stoich.:

AB3C4D23E31 (1)

Weight, g/mol:

906.132614

ΔHf, kcal/mol:

-112.37

Dipole, Da:

5.84

IP(EA), eV:

 -9.02(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(2S)-4-[[4-chloro-2-(furan-2-ylmethylamino)-5-(sulfinatoamino)benzoyl]amino]-2-ethoxycarbonyl-1-[2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-(2,2,2-trichloroethoxycarbonyl)amino]propanoyl]pyrrolidine

Drug info:

PubChemData

Smile

C1CCC(NCC1)CC2=CC(=NC=C2)CC=C(CNC(=O)CS(=O)CC3=COC=C3)O

DOS

IR

Vibrations