Geometry & MOs

Info

ID:	358262
PubChem CID:	127295807
Reduced:	SN3O4C15H29 (1)
Stoich.:	AB3C4D15E29 (1)
Weight, g/mol:	393.222784
ΔH_f, kcal/mol:	-199.45
Dipole, Da:	2.9
IP(EA), eV:	-9.29(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[2-(3,5-difluorophenyl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations