Geometry & MOs

Info

ID:	420708
PubChem CID:	135114688
Reduced:	SN6O6C32H40 (1)
Stoich.:	AB6C6D32E40 (1)
Weight, g/mol:	423.230411
ΔH_f, kcal/mol:	-201.45
Dipole, Da:	6.51
IP(EA), eV:	-9.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3=CC4=C(C=C3)N=CS4)C=C2)C

DOS

IR

Vibrations