Geometry & MOs

Info

ID:

306626

PubChem CID:

125092850

Reduced:

SN3O5C31H39 (1)

Stoich.:

AB3C5D31E39 (1)

Weight, g/mol:

517.261043

ΔHf, kcal/mol:

-160.97

Dipole, Da:

7.15

IP(EA), eV:

 -9.03(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC)N(CC1=CC=CC(=C1)C)C(=O)CN(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations