Geometry & MOs

Info

ID:	33974
PubChem CID:	7889093
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	395.06638
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	4.96
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C4=CC=CC=C4)C

DOS

IR

Vibrations