Geometry & MOs

Info

ID:	79315
PubChem CID:	49748003
Reduced:	ClO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	361.162412
ΔH_f, kcal/mol:	-93.24
Dipole, Da:	5.35
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC(C2=CC=CC=C2Cl)N(C)C)N3CCCC3=O

DOS

IR

Vibrations