Geometry & MOs

Info

ID:	164181
PubChem CID:	74382219
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	485.96835
ΔH_f, kcal/mol:	-13.56
Dipole, Da:	4.99
IP(EA), eV:	-8.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-(2,4-dichlorophenyl)propan-2-yl]-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC1CNC3CC(NN3)C4=CC=CC=C4)CN(C(=O)O2)C5=CN=CC=C5

DOS

IR

Vibrations