Geometry & MOs

Info

ID:	201850
PubChem CID:	79592845
Reduced:	BrClH16C19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	330.107185
ΔH_f, kcal/mol:	34.65
Dipole, Da:	2.98
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)Cl)Br)C

DOS

IR

Vibrations