Geometry & MOs

Info

ID:	154435
PubChem CID:	56313873
Reduced:	N2F3O5C21H25 (1)
Stoich.:	A2B3C5D21E25 (1)
Weight, g/mol:	462.085404
ΔH_f, kcal/mol:	-317.2
Dipole, Da:	2.71
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=CC=N1)CNC(=O)CCC2=CC(=C(C=C2)OCC(F)(F)F)OC

DOS

IR

Vibrations