Geometry & MOs

Info

ID:

306521

PubChem CID:

125085113

Reduced:

SCl2N3O5C32H39 (1)

Stoich.:

AB2C3D5E32F39 (1)

Weight, g/mol:

695.178761

ΔHf, kcal/mol:

-190.0

Dipole, Da:

8.52

IP(EA), eV:

 -9.0(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC)N(CC1=C(C=C(C=C1)Cl)Cl)C(=O)CN(C2=CC=CC=C2OCC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations