Geometry & MOs

Info

ID:	202549
PubChem CID:	79685618
Reduced:	S2N3O4C11H17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	341.95753
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	2.06
IP(EA), eV:	-9.29(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)-(5-iodothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N[C@H]2CCNC2

DOS

IR

Vibrations