Geometry & MOs

Info

ID:	56431
PubChem CID:	17425434
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	368.165997
ΔH_f, kcal/mol:	-56.14
Dipole, Da:	5.39
IP(EA), eV:	-8.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC(=NC(=C23)NC(C)C4=CC5=C(C=C4)OCO5)CN6CCOCC6

DOS

IR

Vibrations