Geometry & MOs

Info

ID:	153055
PubChem CID:	56312179
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	395.167891
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	11.24
IP(EA), eV:	-9.38(-1.38)
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,N-dimethylfuran-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations