Geometry & MOs

Info

ID:	208479
PubChem CID:	80534286
Reduced:	SBr3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	429.91731
ΔH_f, kcal/mol:	53.79
Dipole, Da:	2.9
IP(EA), eV:	-9.46(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]-4,5-dibromo-N-cyclopropylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC(=C(S2)Br)Br)Br

DOS

IR

Vibrations