Geometry & MOs

Info

ID:	47171
PubChem CID:	10530193
Reduced:	ClF3O3N5C24H29 (1)
Stoich.:	AB3C3D5E24F29 (1)
Weight, g/mol:	528.186268
ΔH_f, kcal/mol:	-260.49
Dipole, Da:	3.88
IP(EA), eV:	-9.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(4-morpholin-4-ylphenyl)sulfonyl-N-trimethylsilyloxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC(F)(F)F)C)C(=O)N2CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations