Geometry & MOs

Info

ID:	164108
PubChem CID:	74382024
Reduced:	ClOSF3N4H18C19 (1)
Stoich.:	ABCD3E4F18G19 (1)
Weight, g/mol:	456.099845
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	3.62
IP(EA), eV:	-9.24(-1.15)
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-chloro-2-methylpyrazol-3-yl)-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)Cl)C2=CSC(=C2)C(=O)NC(CC3=CC=CC=C3C(F)(F)F)CN

DOS

IR

Vibrations