Geometry & MOs

Info

ID:

306651

PubChem CID:

125093458

Reduced:

SF3N3O4C36H38 (1)

Stoich.:

AB3C3D4E36F38 (1)

Weight, g/mol:

643.17156

ΔHf, kcal/mol:

-254.57

Dipole, Da:

10.38

IP(EA), eV:

 -9.12(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N(CC2=CC=CC(=C2)C)C(=O)CN(C3=CC=CC(=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations