Geometry & MOs

Info

ID:

299866

PubChem CID:

117749202

Reduced:

SN4O4C36H40 (1)

Stoich.:

AB4C4D36E40 (1)

Weight, g/mol:

639.168463

ΔHf, kcal/mol:

-88.53

Dipole, Da:

8.63

IP(EA), eV:

 -9.26(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 5-[(4-methoxyphenyl)methyl-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]phenyl]sulfonylamino]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)C2=NC=C(C=N2)/C=C\CCCC3=CC=CC=C3)NC(=O)C4=CC=C(S4)C(C)(C)C

DOS

IR

Vibrations