Geometry & MOs

Info

ID:	415110
PubChem CID:	135088096
Reduced:	OSN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	327.125277
ΔH_f, kcal/mol:	50.08
Dipole, Da:	5.11
IP(EA), eV:	-8.26(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)SC)NCC3=NC(=O)NN3

DOS

IR

Vibrations