Geometry & MOs

Info

ID:	144016
PubChem CID:	53300574
Reduced:	BrN2O2H17C21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	334.097187
ΔH_f, kcal/mol:	-6.7
Dipole, Da:	2.03
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7S)-5-(4-chlorophenyl)-7-cyclopropyl-2,2-dimethyl-7,8-dihydro-5H-pyrano[4,3-d][1,3]dioxin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(N=C2N1C=CC3=CC=CC=C32)C4=CC(=CC=C4)Br

DOS

IR

Vibrations