Geometry & MOs

Info

ID:	39580
PubChem CID:	8141433
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	391.150053
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	2.23
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-piperidin-1-ylphenyl)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)NC(=O)C2=NC3=CC=CC=C3C=C2)C4=CC(=CC=C4)OC

DOS

IR

Vibrations