Geometry & MOs

Info

ID:	78512
PubChem CID:	49693450
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-112.72
Dipole, Da:	5.55
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-oxobenzo[f]chromene-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations