Geometry & MOs

Info

ID:	319729
PubChem CID:	126657127
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	1.45
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(1R)-5-[N-methyl-4-(oxan-4-yl)anilino]-2,3-dihydro-1H-inden-1-yl]methylamino]pyridin-4-yl]methanediol

Drug info:

PubChemData

Smile

CNC(=O)CNC(=O)C1=CSC(=N1)NC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations