Geometry & MOs

Info

ID:	393521
PubChem CID:	135020887
Reduced:	BrN2S2O4H15C16 (1)
Stoich.:	AB2C2D4E15F16 (1)
Weight, g/mol:	380.147118
ΔH_f, kcal/mol:	-84.12
Dipole, Da:	3.33
IP(EA), eV:	-8.66(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(Z)-[5-[(2S,3S)-3-(1,3-dioxolan-2-yl)-5-oxooxolan-2-yl]-5-methoxy-4-methylfuran-2-ylidene]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)[C@@H](CC1=CC2=CC=CC=C2N1)NS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations