Geometry & MOs

Info

ID:	186831
PubChem CID:	77490964
Reduced:	OSN5C22H29 (1)
Stoich.:	ABC5D22E29 (1)
Weight, g/mol:	426.220181
ΔH_f, kcal/mol:	19.99
Dipole, Da:	4.91
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-methyl-1-pyridin-2-ylpyrrol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1N2C=CN=C2C3=CC=CC=C3)C4CC(NC4)C(=O)N5CCSC5

DOS

IR

Vibrations