Geometry & MOs

Info

ID:	136418
PubChem CID:	52037973
Reduced:	OSN6C29H32 (1)
Stoich.:	ABC6D29E32 (1)
Weight, g/mol:	437.224932
ΔH_f, kcal/mol:	75.87
Dipole, Da:	4.11
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,5-dimethylpyrazol-1-yl)-6-ethyl-5-methylpyrimidin-4-yl]sulfanyl-N-[(2R)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CC(=N2)SCCC(=O)NC3=CC=CC(=C3)CN4CCCC4)C5=CC=CC=C5)C

DOS

IR

Vibrations