Geometry & MOs

Info

ID:

313778

PubChem CID:

126617576

Reduced:

ClSF2O5N6H27C30 (1)

Stoich.:

ABC2D5E6F27G30 (1)

Weight, g/mol:

596.210484

ΔHf, kcal/mol:

-189.75

Dipole, Da:

7.37

IP(EA), eV:

 -8.95(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetyl-N-cyclopropylsulfonyl-1-[2-[(2S,4R)-4-fluoro-2-(3-phenylpropylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC3=C(S2)C(=NN3CC(=O)N4C[C@@H](C[C@H]4C(=O)NC5=CC=CC(=C5F)C6=CC=CC=C6Cl)F)C(=O)N

DOS

IR

Vibrations