Geometry & MOs

Info

ID:	204638
PubChem CID:	79990968
Reduced:	BrNSC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	330.98419
ΔH_f, kcal/mol:	-7.47
Dipole, Da:	3.45
IP(EA), eV:	-8.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-methylthiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C)(C)CCNC(C)C)Br

DOS

IR

Vibrations