Geometry & MOs

Info

ID:

306568

PubChem CID:

125088771

Reduced:

FSCl2N3O5C36H38 (1)

Stoich.:

ABC2D3E5F36G38 (1)

Weight, g/mol:

689.17703

ΔHf, kcal/mol:

-197.76

Dipole, Da:

9.04

IP(EA), eV:

 -9.25(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-bromophenyl)methyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=CC=C(C=C4)F

DOS

IR

Vibrations