Geometry & MOs

Info

ID:

306566

PubChem CID:

125088402

Reduced:

BrClSN3O4C35H37 (1)

Stoich.:

ABCD3E4F35G37 (1)

Weight, g/mol:

541.222212

ΔHf, kcal/mol:

-100.9

Dipole, Da:

7.07

IP(EA), eV:

 -9.0(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methyl-[2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=C(C=C2)Br)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations