Geometry & MOs

Info

ID:	335943
PubChem CID:	127254950
Reduced:	BrFN2O3H22C33 (1)
Stoich.:	ABC2D3E22F33 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	34.21
Dipole, Da:	2.6
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3N2[C@H]([C@H]([C@@]34C5=CC=CC=C5NC4=O)C(=O)C6=CC=C(C=C6)F)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations