Geometry & MOs

Info

ID:

306500

PubChem CID:

125083979

Reduced:

SN3O5C29H35 (1)

Stoich.:

AB3C5D29E35 (1)

Weight, g/mol:

755.175426

ΔHf, kcal/mol:

-148.31

Dipole, Da:

8.84

IP(EA), eV:

 -8.69(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(C)C)N(CC1=CC=C(C=C1)OC)C(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations