Geometry & MOs

Info

ID:

230304

PubChem CID:

87570620

Reduced:

ClSO2N5H16C23 (1)

Stoich.:

ABC2D5E16F23 (1)

Weight, g/mol:

510.201359

ΔHf, kcal/mol:

69.32

Dipole, Da:

6.61

IP(EA), eV:

 -9.11(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(2S,3S,4S,5R,6R)-6-[1-(cyclopropylmethyl)-4-[(3-fluoro-4-methylphenyl)methyl]-5-methylpyrazol-3-yl]oxy-3,4,5,6-tetrahydroxyoxan-2-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=CN4C(=NC=C4C5=CC=NC=C5)C=C3)Cl

DOS

IR

Vibrations