Geometry & MOs

Info

ID:	357571
PubChem CID:	127294234
Reduced:	N2S2O3C18H20 (1)
Stoich.:	A2B2C3D18E20 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-66.42
Dipole, Da:	5.58
IP(EA), eV:	-9.42(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations