Geometry & MOs

Info

ID:	187122
PubChem CID:	77532414
Reduced:	ClOF2N5H18C20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	542.134794
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	3.5
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]-4-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=CC=C2Cl)C(C)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

DOS

IR

Vibrations