Geometry & MOs

Info

ID:

306645

PubChem CID:

125093281

Reduced:

ClSN3O5C24H32 (1)

Stoich.:

ABC3D5E24F32 (1)

Weight, g/mol:

679.228298

ΔHf, kcal/mol:

-199.12

Dipole, Da:

6.75

IP(EA), eV:

 -8.92(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[(4-chlorophenyl)methyl-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)Cl)C(=O)CN(C2=CC(=CC=C2)OC)S(=O)(=O)C

DOS

IR

Vibrations