Geometry & MOs

Info

ID:	156155
PubChem CID:	56369342
Reduced:	BrO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	464.140593
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	3.52
IP(EA), eV:	-8.62(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)Br

DOS

IR

Vibrations