Geometry & MOs

Info

ID:

84227

PubChem CID:

49865075

Reduced:

ClSN6O7C28H33 (1)

Stoich.:

ABC6D7E28F33 (1)

Weight, g/mol:

663.080231

ΔHf, kcal/mol:

-181.49

Dipole, Da:

6.7

IP(EA), eV:

 -8.74(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-chloro-3-oxo-4-[2-oxo-1-phenyl-2-[2-[[4-(trifluoromethyl)phenyl]sulfonylcarbamoyl]anilino]ethyl]pyrazin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(C(=O)N1C(C2=CC=CC=C2)C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)NCC(=O)N5CCOCC5)Cl

DOS

IR

Vibrations