Geometry & MOs

Info

ID:

147579

PubChem CID:

53787235

Reduced:

SN3O5C27H27 (1)

Stoich.:

AB3C5D27E27 (1)

Weight, g/mol:

528.150112

ΔHf, kcal/mol:

-91.05

Dipole, Da:

4.43

IP(EA), eV:

 -9.2(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-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)C4=NC(=NO4)C5=CC=CC=C5)(C)C)O

DOS

IR

Vibrations