Geometry & MOs

Info

ID:	447627
PubChem CID:	135284318
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	434.063796
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	10.05
IP(EA), eV:	-8.05(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(N(CN(C1=O)C)C2=CN(N=C2)CCC(=O)N3CCCC3)C

DOS

IR

Vibrations