Geometry & MOs

Info

ID:	418148
PubChem CID:	135103663
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	-79.69
Dipole, Da:	3.57
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidine-1-carbonyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations