Geometry & MOs

Info

ID:	242747
PubChem CID:	99206040
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	-106.29
Dipole, Da:	6.74
IP(EA), eV:	-9.57(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](C2=C(C1)NC(=O)C(=C2)C(=O)N)NC(=O)C3=CC(=NC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations