Geometry & MOs

Info

ID:

306650

PubChem CID:

125093451

Reduced:

ClSN3O5C37H42 (1)

Stoich.:

ABC3D5E37F42 (1)

Weight, g/mol:

665.253512

ΔHf, kcal/mol:

-148.17

Dipole, Da:

6.14

IP(EA), eV:

 -8.76(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-[(2R)-butan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations