Geometry & MOs

Info

ID:	306750
PubChem CID:	125237210
Reduced:	ClSN2O3C19H25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-110.26
Dipole, Da:	7.95
IP(EA), eV:	-9.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,7aS)-5-(pyridin-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CC[C@H]3CN(S(=O)(=O)[C@@H]3CC2)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations