Geometry & MOs

Info

ID:

147577

PubChem CID:

53787233

Reduced:

S2N4O5C23H26 (1)

Stoich.:

A2B4C5D23E26 (1)

Weight, g/mol:

501.139213

ΔHf, kcal/mol:

-132.27

Dipole, Da:

6.45

IP(EA), eV:

 -9.41(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydrochromene-6-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C(=O)NC4=NN=C(S4)C)(C)C)O

DOS

IR

Vibrations