Geometry & MOs

Info

ID:	243268
PubChem CID:	99218128
Reduced:	BrN2O2F3C14H18 (1)
Stoich.:	AB2C2D3E14F18 (1)
Weight, g/mol:	460.09325
ΔH_f, kcal/mol:	-214.46
Dipole, Da:	4.93
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]-2-[2-(2,5-dimethylpyrrol-1-yl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)CCN(C1=CC(=CC=C1)Br)C(=O)COCC(F)(F)F

DOS

IR

Vibrations