Geometry & MOs

Info

ID:	164256
PubChem CID:	74382606
Reduced:	ClOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	422.138817
ΔH_f, kcal/mol:	36.7
Dipole, Da:	5.52
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(2,4-dimethylpyrazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CSC(=C2)C(=O)NC(CC3=CC=C(C=C3)Cl)CN

DOS

IR

Vibrations