Geometry & MOs

Info

ID:

17625

PubChem CID:

508305

Reduced:

SN5O6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

673.293405

ΔHf, kcal/mol:

-186.67

Dipole, Da:

7.23

IP(EA), eV:

 -9.2(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,3R)-4-[benzenesulfonyl(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-methyl-2-(quinoline-2-carbonylamino)butanediamide

Drug info:

PubChemData

Smile

CC(C)CCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)NC)NC(=O)C2=NC3=CC=CC=C3C=C2)O)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations