Geometry & MOs

Info

ID:	39155
PubChem CID:	8139809
Reduced:	SN3O6C13H15 (1)
Stoich.:	AB3C6D13E15 (1)
Weight, g/mol:	337.155218
ΔH_f, kcal/mol:	-123.63
Dipole, Da:	4.44
IP(EA), eV:	-9.76(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(2-oxochromene-3-carbonyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations