Geometry & MOs

Info

ID:

190462

PubChem CID:

78008532

Reduced:

O15C34H46 (1)

Stoich.:

A15B34C46 (1)

Weight, g/mol:

573.196728

ΔHf, kcal/mol:

-623.44

Dipole, Da:

2.94

IP(EA), eV:

 -9.21(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1C(C(C(OC1C(=O)OCC2=CC=CC=C2)OCCOC3C(C(C(OC3C(=O)OCC4=CC=C(C=C4)O)OC(C)C)O)O)O)O

DOS

IR

Vibrations