Geometry & MOs

Info

ID:	241073
PubChem CID:	93621542
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	312.125612
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	4.14
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methylsulfonyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations