Geometry & MOs

Info

ID:	243537
PubChem CID:	99226589
Reduced:	S2O3N4C22H28 (1)
Stoich.:	A2B3C4D22E28 (1)
Weight, g/mol:	416.137222
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	7.8
IP(EA), eV:	-8.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[[2-(7-methyl-2-oxochromen-4-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN1C=C(C2=CC=CC=C21)C(=O)N3CCC(CC3)NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations