Geometry & MOs

Info

ID:

16134

PubChem CID:

460119

Reduced:

ClSF2O2N4H21C24 (1)

Stoich.:

ABC2D2E4F21G24 (1)

Weight, g/mol:

502.104181

ΔHf, kcal/mol:

-77.26

Dipole, Da:

6.05

IP(EA), eV:

 -9.32(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C2=CC=C(C=C2)Cl)C(=O)N[C@H](C)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations