Geometry & MOs

Info

ID:	415431
PubChem CID:	135088425
Reduced:	SF2O5N6C30H36 (1)
Stoich.:	AB2C5D6E30F36 (1)
Weight, g/mol:	375.159434
ΔH_f, kcal/mol:	-212.9
Dipole, Da:	2.7
IP(EA), eV:	-8.81(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-4-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)CC4=CC5=C(C=C4)OC(O5)(F)F)N=N3

DOS

IR

Vibrations