Geometry & MOs

Info

ID:

306544

PubChem CID:

125086590

Reduced:

FSN3O4C38H42 (1)

Stoich.:

ABC3D4E38F42 (1)

Weight, g/mol:

755.0987

ΔHf, kcal/mol:

-147.41

Dipole, Da:

3.22

IP(EA), eV:

 -9.04(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2,3-dichloroanilino]acetyl]-[(3-bromophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N(CC(=O)N(CC2=CC=C(C=C2)F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations