Geometry & MOs

Info

ID:

227464

PubChem CID:

87561805

Reduced:

ClSF2N3O3C27H28 (1)

Stoich.:

ABC2D3E3F27G28 (1)

Weight, g/mol:

547.150797

ΔHf, kcal/mol:

-187.82

Dipole, Da:

3.61

IP(EA), eV:

 -8.78(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-chloro-6-fluoro-3-[[2-[[2-(2-fluorophenyl)ethanethioyl]amino]-3-methylpentanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N[C@@]1(CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)Cl)C(=O)O)NC(=S)CC4=CC=CC=C4F

DOS

IR

Vibrations