Geometry & MOs

Info

ID:	54220
PubChem CID:	16954108
Reduced:	SO2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	338.093643
ΔH_f, kcal/mol:	32.9
Dipole, Da:	4.85
IP(EA), eV:	-8.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-oxo-2,3-dihydrochromen-6-yl)sulfonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=NOC(=C4)C

DOS

IR

Vibrations