Geometry & MOs

Info

ID:	61364
PubChem CID:	26708592
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	452.96166
ΔH_f, kcal/mol:	-128.22
Dipole, Da:	3.15
IP(EA), eV:	-8.25(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)OC)C(=O)CC2=CC=C(C=C2)N3CCCC3=O

DOS

IR

Vibrations