Geometry & MOs

Info

ID:	441216
PubChem CID:	135233654
Reduced:	O2N7C20H31 (1)
Stoich.:	A2B7C20D31 (1)
Weight, g/mol:	462.223552
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	1.76
IP(EA), eV:	-8.34(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[3-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]piperidin-1-yl]sulfanyl-4-methyl-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](CCNC(=O)C1=CN(C=N1)C)C2=NC(=C(C=C2)NCC(C)(C)C)N(C)N=O

DOS

IR

Vibrations