Geometry & MOs

Info

ID:	354278
PubChem CID:	127286242
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	13.47
Dipole, Da:	6.41
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutyl-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC2=NC=CC=N2)NC(=O)N3CCN(CC3)C4CCCC4

DOS

IR

Vibrations