Geometry & MOs

Info

ID:	26572
PubChem CID:	653026
Reduced:	O2N4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	445.158389
ΔH_f, kcal/mol:	-26.81
Dipole, Da:	2.75
IP(EA), eV:	-9.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-[[4-ethyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)CC(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations