Geometry & MOs

Info

ID:	208010
PubChem CID:	80480802
Reduced:	BrSCl2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	275.9932
ΔH_f, kcal/mol:	48.48
Dipole, Da:	2.59
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]butanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)N(C(=N2)CCCl)CC3=C(C=CS3)Br

DOS

IR

Vibrations