Geometry & MOs

Info

ID:	358130
PubChem CID:	127295675
Reduced:	SO2N3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	5.33
IP(EA), eV:	-9.31(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(2-fluorophenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=CC=CS3

DOS

IR

Vibrations