Geometry & MOs

Info

ID:	369467
PubChem CID:	127333880
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	4.98
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2H-chromen-3-ylmethyl)-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC3=CC=CC=C3C=C2CNC4CCCS(=O)(=O)C4

DOS

IR

Vibrations