Geometry & MOs

Info

ID:	153160
PubChem CID:	56312308
Reduced:	FN3O3C23H30 (1)
Stoich.:	AB3C3D23E30 (1)
Weight, g/mol:	453.19986
ΔH_f, kcal/mol:	-131.77
Dipole, Da:	6.17
IP(EA), eV:	-8.47(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCC(CN2CCCN(CC2)CC3=CC=CC=C3F)O

DOS

IR

Vibrations