Geometry & MOs

Info

ID:	263812
PubChem CID:	103400420
Reduced:	ClSO2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	297.059028
ΔH_f, kcal/mol:	-33.47
Dipole, Da:	4.31
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylthiophen-2-yl)-(3,4-dimethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)C2=CC3=C(COC3)C=C2

DOS

IR

Vibrations