Geometry & MOs

Info

ID:	416085
PubChem CID:	135089093
Reduced:	S2N6O7C28H44 (1)
Stoich.:	A2B6C7D28E44 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-303.18
Dipole, Da:	8.61
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CN(CC(=O)N1)S(=O)(=O)C)CC2=CC=CC=C2)C)CCSC)C(C)C

DOS

IR

Vibrations