Geometry & MOs

Info

ID:	275521
PubChem CID:	103816503
Reduced:	BrClF2N2O2H8C13 (1)
Stoich.:	ABC2D2E2F8G13 (1)
Weight, g/mol:	357.95422
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	8.31
IP(EA), eV:	-9.17(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC(=C(N=C2)Cl)Br)OC(F)F

DOS

IR

Vibrations