Geometry & MOs

Info

ID:	240640
PubChem CID:	93616922
Reduced:	SO2N3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	7.19
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=CS1)NC(=O)C2=CC(=CC=C2)N3CCNC3=O

DOS

IR

Vibrations