Geometry & MOs

Info

ID:	164208
PubChem CID:	74382289
Reduced:	F3N4O4C27H39 (1)
Stoich.:	A3B4C4D27E39 (1)
Weight, g/mol:	408.057838
ΔH_f, kcal/mol:	-350.03
Dipole, Da:	6.51
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-(2,4-dichlorophenyl)propan-2-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2C(C1C(CNC3CCN(CC3)C(CC(=O)NCC4=CC=CC=C4)C(F)(F)F)O)CCC(=O)N2)O

DOS

IR

Vibrations