Geometry & MOs

Info

ID:	270195
PubChem CID:	103633464
Reduced:	BrSF2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-0.6
Dipole, Da:	4.44
IP(EA), eV:	-9.08(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-N-[(5-nitrothiophen-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)CCNC2=C(C=C(C=C2F)C#N)F

DOS

IR

Vibrations