Geometry & MOs

Info

ID:	423493
PubChem CID:	135119598
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-149.01
Dipole, Da:	5.12
IP(EA), eV:	-9.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCCS(=O)(=O)N)CC2=CC=NC=C2

DOS

IR

Vibrations