Geometry & MOs

Info

ID:

306482

PubChem CID:

125082296

Reduced:

ClSN3O6C26H36 (1)

Stoich.:

ABC3D6E26F36 (1)

Weight, g/mol:

581.212648

ΔHf, kcal/mol:

-238.58

Dipole, Da:

1.13

IP(EA), eV:

 -8.88(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations