Geometry & MOs

Info

ID:

306501

PubChem CID:

125083980

Reduced:

SCl3N3O5C38H40 (1)

Stoich.:

AB3C3D5E38F40 (1)

Weight, g/mol:

655.288006

ΔHf, kcal/mol:

-151.44

Dipole, Da:

6.02

IP(EA), eV:

 -8.91(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations