Geometry & MOs

Info

ID:	164046
PubChem CID:	74381637
Reduced:	S3O4N5H25C27 (1)
Stoich.:	A3B4C5D25E27 (1)
Weight, g/mol:	528.08063
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	5.69
IP(EA), eV:	-9.17(-1.23)
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-propylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N(CC2)C(=O)C(=CC3=CC=CS3)NC(=O)C4=CC=CS4)S(=O)(=O)NC5=NC(=CC(=N5)C)C

DOS

IR

Vibrations