Geometry & MOs

Info

ID:	206280
PubChem CID:	80225533
Reduced:	BrN2O2S2C12H13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	389.97075
ΔH_f, kcal/mol:	-28.56
Dipole, Da:	5.32
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-4-methoxyphenyl)methyl]-5-bromo-2-methylthiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NCC2=CC=C(C=C2)N

DOS

IR

Vibrations