Geometry & MOs

Info

ID:	156053
PubChem CID:	56368940
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	454.150861
ΔH_f, kcal/mol:	-53.42
Dipole, Da:	3.25
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C2=CC=CC=C2)C(=O)NCC3=CC(=CC=C3)OCCN4CCOCC4

DOS

IR

Vibrations