Geometry & MOs

Info

ID:	186819
PubChem CID:	77490826
Reduced:	SN2O5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	495.18596
ΔH_f, kcal/mol:	-200.32
Dipole, Da:	7.24
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(5-chloro-1-phenylbenzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCC(=O)N1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1)C(=O)O

DOS

IR

Vibrations