Geometry & MOs

Info

ID:	152839
PubChem CID:	56311916
Reduced:	FSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	450.208947
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	5.03
IP(EA), eV:	-8.97(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=O)C4=C(N3)C=C(S4)C5=CC=C(C=C5)F

DOS

IR

Vibrations