Geometry & MOs

Info

ID:	147611
PubChem CID:	53787267
Reduced:	N2S3O4H26C28 (1)
Stoich.:	A2B3C4D26E28 (1)
Weight, g/mol:	286.97573
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	7.21
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=C(C=C1)C2=NC=CS2)NC(=O)C(CC3=CC=CS3)CSC(=O)C4=CC=CC=C4

DOS

IR

Vibrations