Geometry & MOs

Info

ID:	307952
PubChem CID:	125310902
Reduced:	BrO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	435.134282
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	4.4
IP(EA), eV:	-8.44(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5R,6R)-3-(4-fluorophenyl)-5-methyl-7-oxo-5,6-dihydrofuro[3,2-g]chromen-6-yl]-N-(2H-tetrazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@@H]2C1)CNC(=O)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Br

DOS

IR

Vibrations