Geometry & MOs

Info

ID:	44188
PubChem CID:	10501795
Reduced:	ClOSeC21H29 (1)
Stoich.:	ABCD21E29 (1)
Weight, g/mol:	412.12769
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	2.41
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-1-(4-methylphenyl)sulfonyl-4-(2-trimethylsilylethynyl)indol-5-amine

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CC[C@]2(CC[C@H]([C@@H]2C1=O)C(C)(C)Cl)C)[Se]C3=CC=CC=C3

DOS

IR

Vibrations