Geometry & MOs

Info

ID:

190464

PubChem CID:

78008881

Reduced:

S2N3O6C28H29 (1)

Stoich.:

A2B3C6D28E29 (1)

Weight, g/mol:

563.139607

ΔHf, kcal/mol:

-166.42

Dipole, Da:

5.25

IP(EA), eV:

 -9.05(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[(2-benzyl-3-methoxy-3-oxopropanoyl)amino]-2-(4-ethoxycarbonyl-4,5-dihydro-1,3-thiazol-2-yl)ethyl]phenyl]sulfamic acid

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=C(C=C2)NS(=O)(=O)O)C3=NCC(S3)C4=CC=CC=C4

DOS

IR

Vibrations