Geometry & MOs

Info

ID:	31541
PubChem CID:	855847
Reduced:	BrNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	308.9823
ΔH_f, kcal/mol:	-0.4
Dipole, Da:	3.56
IP(EA), eV:	-8.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4,5-dimethylthiophen-3-yl)-(4-bromophenyl)methanone

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations