Geometry & MOs

Info

ID:	65466
PubChem CID:	38671736
Reduced:	BrSN3O3H20C23 (1)
Stoich.:	ABC3D3E20F23 (1)
Weight, g/mol:	419.145676
ΔH_f, kcal/mol:	-38.14
Dipole, Da:	2.57
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-ethyl-N-(furan-2-ylmethyl)-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=CC4=C(N3)C=CC(=C4)Br)C(=O)C)C

DOS

IR

Vibrations