Geometry & MOs

Info

ID:

306649

PubChem CID:

125093449

Reduced:

SBr2N3O4C34H35 (1)

Stoich.:

AB2C3D4E34F35 (1)

Weight, g/mol:

675.25337

ΔHf, kcal/mol:

-82.16

Dipole, Da:

3.1

IP(EA), eV:

 -9.34(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[(3-chlorophenyl)methyl-[2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N(CC2=CC=C(C=C2)Br)C(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations