Geometry & MOs

Info

ID:

306587

PubChem CID:

125089287

Reduced:

FSN3O5C31H38 (1)

Stoich.:

ABC3D5E31F38 (1)

Weight, g/mol:

603.196998

ΔHf, kcal/mol:

-212.15

Dipole, Da:

1.32

IP(EA), eV:

 -8.81(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations