Geometry & MOs

Info

ID:

306634

PubChem CID:

125093144

Reduced:

ClSN3O5C37H42 (1)

Stoich.:

ABC3D5E37F42 (1)

Weight, g/mol:

657.287257

ΔHf, kcal/mol:

-154.77

Dipole, Da:

5.35

IP(EA), eV:

 -8.89(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations