Geometry & MOs

Info

ID:	166285
PubChem CID:	74663026
Reduced:	OF2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	433.112999
ΔH_f, kcal/mol:	-107.81
Dipole, Da:	6.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.167290
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCCC1CC[N+]2=CN=C3C=C(C(=CC3C2=O)F)F

DOS

IR

Vibrations