Geometry & MOs

Info

ID:	152714
PubChem CID:	56311769
Reduced:	O2N3C13H19 (2)
Stoich.:	A2B3C13D19 (2)
Weight, g/mol:	467.179124
ΔH_f, kcal/mol:	-168.06
Dipole, Da:	8.65
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-5-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations