Geometry & MOs

Info

ID:	144228
PubChem CID:	53334668
Reduced:	N3O5H23C28 (1)
Stoich.:	A3B5C23D28 (1)
Weight, g/mol:	484.06338
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	5.14
IP(EA), eV:	-9.4(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-ylimino)-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)OC5=CC=CC=C53

DOS

IR

Vibrations