Geometry & MOs

Info

ID:	244142
PubChem CID:	99319101
Reduced:	BrF2N2O2H17C19 (1)
Stoich.:	AB2C2D2E17F19 (1)
Weight, g/mol:	391.080219
ΔH_f, kcal/mol:	-116.06
Dipole, Da:	1.36
IP(EA), eV:	-9.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC(=CC=C2)Br)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations