Geometry & MOs

Info

ID:	206281
PubChem CID:	80225534
Reduced:	BrN2S2O3C13H15 (1)
Stoich.:	AB2C2D3E13F15 (1)
Weight, g/mol:	389.97075
ΔH_f, kcal/mol:	-65.63
Dipole, Da:	5.0
IP(EA), eV:	-8.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-2-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)OC)N

DOS

IR

Vibrations