Geometry & MOs

Info

ID:	418123
PubChem CID:	135103614
Reduced:	SO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	4.69
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=C(OC(=N3)C4=CC=CS4)C

DOS

IR

Vibrations