Geometry & MOs

Info

ID:	153864
PubChem CID:	56313195
Reduced:	O2F3N5C18H28 (1)
Stoich.:	A2B3C5D18E28 (1)
Weight, g/mol:	469.149384
ΔH_f, kcal/mol:	-225.62
Dipole, Da:	7.5
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(4-methylphenyl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCN(CC1)C(=O)C2=C(N(N=C2)C(C)C)C(F)(F)F

DOS

IR

Vibrations