Geometry & MOs

Info

ID:	354277
PubChem CID:	127286241
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	9.78
Dipole, Da:	4.76
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC2=NC=CC=N2)NC(=O)NC3CCN4C3CCCC4

DOS

IR

Vibrations