Geometry & MOs

Info

ID:

306531

PubChem CID:

125085730

Reduced:

N2S2O5C21H28 (1)

Stoich.:

A2B2C5D21E28 (1)

Weight, g/mol:

705.219483

ΔHf, kcal/mol:

-194.61

Dipole, Da:

9.12

IP(EA), eV:

 -9.36(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N([C@H](C)C(=O)N[C@H](C)C2=CC=C(C=C2)S(=O)(=O)C)S(=O)(=O)C)C

DOS

IR

Vibrations