Geometry & MOs

Info

ID:

306550

PubChem CID:

125086609

Reduced:

ClFSN3O4C30H33 (1)

Stoich.:

ABCD3E4F30G33 (1)

Weight, g/mol:

655.288006

ΔHf, kcal/mol:

-170.9

Dipole, Da:

2.87

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](C)C(=O)NC3CCCC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations