Geometry & MOs

Info

ID:	153304
PubChem CID:	56312484
Reduced:	FON4C23H33 (1)
Stoich.:	ABC4D23E33 (1)
Weight, g/mol:	437.178456
ΔH_f, kcal/mol:	-60.29
Dipole, Da:	5.66
IP(EA), eV:	-8.68(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-5-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]furan-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1C(C)(C)C)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations