Geometry & MOs

Info

ID:

16556

PubChem CID:

472585

Reduced:

SN5O7C37H43 (1)

Stoich.:

AB5C7D37E43 (1)

Weight, g/mol:

701.28832

ΔHf, kcal/mol:

-233.79

Dipole, Da:

7.59

IP(EA), eV:

 -9.1(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S,3S)-4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxopentan-2-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations