Geometry & MOs

Info

ID:	269517
PubChem CID:	103617829
Reduced:	FION2C15H18 (1)
Stoich.:	ABCD2E15F18 (1)
Weight, g/mol:	303.98811
ΔH_f, kcal/mol:	-57.21
Dipole, Da:	4.55
IP(EA), eV:	-8.72(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-bromothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CCN2C1)NC(=O)C3=C(C=C(C=C3)F)I

DOS

IR

Vibrations