Geometry & MOs

Info

ID:	154102
PubChem CID:	56313490
Reduced:	N2F3O4C20H27 (1)
Stoich.:	A2B3C4D20E27 (1)
Weight, g/mol:	435.165034
ΔH_f, kcal/mol:	-320.67
Dipole, Da:	4.5
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CCCN(C1)C(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations