Geometry & MOs

Info

ID:	358091
PubChem CID:	127295636
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	6.03
IP(EA), eV:	-8.78(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylpyrazol-4-yl)sulfonyl-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations