Geometry & MOs

Info

ID:	56508
PubChem CID:	17435995
Reduced:	O2N4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	497.178456
ΔH_f, kcal/mol:	3.68
Dipole, Da:	2.9
IP(EA), eV:	-8.2(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CCC3=NC4=CC=CC=C4N(C3=O)CCC5=CC=CC=C5

DOS

IR

Vibrations