Geometry & MOs

Info

ID:	335994
PubChem CID:	127255001
Reduced:	SN2F4O4H26C33 (1)
Stoich.:	AB2C4D4E26F33 (1)
Weight, g/mol:	375.169525
ΔH_f, kcal/mol:	-236.88
Dipole, Da:	10.42
IP(EA), eV:	-8.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylindol-3-yl)ethyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1C/C(=C/C2=CC=C(C=C2)OC(F)F)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC6=C(C=C5)OCCO6)C7=CC=C(C=C7)OC(F)F

DOS

IR

Vibrations