Geometry & MOs

Info

ID:	164143
PubChem CID:	74382088
Reduced:	NCl3O3H24C29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	476.045222
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	4.08
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC=CC(=C1C(=O)OC2CCOC3=C2C=CC(=N3)C4=C(C=C(C=C4)Cl)Cl)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations