Geometry & MOs

Info

ID:	154249
PubChem CID:	56313657
Reduced:	FNOH9C10 (2)
Stoich.:	ABCD9E10 (2)
Weight, g/mol:	414.152575
ΔH_f, kcal/mol:	-75.99
Dipole, Da:	3.75
IP(EA), eV:	-9.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NOC(=C1)C2=CC=CC=C2F)C3=CC=CC=C3F

DOS

IR

Vibrations