Geometry & MOs

Info

ID:	358941
PubChem CID:	127296832
Reduced:	SO4N5C17H27 (1)
Stoich.:	AB4C5D17E27 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-147.27
Dipole, Da:	13.31
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2,2-dimethylpropyl)-2-methylpyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CS(=O)(=O)C2=NNC(=N2)CCC3CCCC3

DOS

IR

Vibrations