Geometry & MOs

Info

ID:	164271
PubChem CID:	74382678
Reduced:	OSF3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	514.06498
ΔH_f, kcal/mol:	-133.35
Dipole, Da:	6.07
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-bromo-2-methylpyrazol-3-yl)-5-ethylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1)C)C2=C(SC(=C2)C(=O)NC(CC3=CC=CC=C3C(F)(F)F)CN)C

DOS

IR

Vibrations