Geometry & MOs

Info

ID:

214910

PubChem CID:

85083833

Reduced:

SN3O3C39H47 (1)

Stoich.:

AB3C3D39E47 (1)

Weight, g/mol:

638.288654

ΔHf, kcal/mol:

-79.65

Dipole, Da:

2.6

IP(EA), eV:

 -8.93(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NCC1=CC=CC=C1)NCC(CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C

DOS

IR

Vibrations