Geometry & MOs

Info

ID:	197643
PubChem CID:	78983860
Reduced:	BrN2O2S2C9H15 (1)
Stoich.:	AB2C2D2E9F15 (1)
Weight, g/mol:	389.93436
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	3.81
IP(EA), eV:	-9.23(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-4-methylsulfonyl-2-nitroaniline

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)NCC1=C(C=CS1)Br

DOS

IR

Vibrations