Geometry & MOs

Info

ID:	207987
PubChem CID:	80476993
Reduced:	BrOSN4C10H11 (1)
Stoich.:	ABCD4E10F11 (1)
Weight, g/mol:	323.9932
ΔH_f, kcal/mol:	33.62
Dipole, Da:	2.06
IP(EA), eV:	-8.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenyl)-N-[(3-bromothiophen-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CN(N=C1N)CC(=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations