Geometry & MOs

Info

ID:	196449
PubChem CID:	78828575
Reduced:	SF3N3O3H12C18 (1)
Stoich.:	AB3C3D3E12F18 (1)
Weight, g/mol:	405.183461
ΔH_f, kcal/mol:	-184.2
Dipole, Da:	3.27
IP(EA), eV:	-9.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(azepan-1-ylsulfonyl)anilino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=NC=C(S3)C(=O)N

DOS

IR

Vibrations