Geometry & MOs

Info

ID:	186912
PubChem CID:	77504583
Reduced:	OSN4C22H30 (1)
Stoich.:	ABC4D22E30 (1)
Weight, g/mol:	428.224597
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	1.68
IP(EA), eV:	-8.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-[7-[methyl(oxan-4-yl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-pyrrolidin-2-ylmethanol

Drug info:

PubChemData

Smile

C1CCN(C1)CCC2CSC(=N2)C3=CC4=C(N3)C(=CC=C4)NC5CCOCC5

DOS

IR

Vibrations