Geometry & MOs

Info

ID:	185588
PubChem CID:	77317136
Reduced:	OSN4C16H18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	448.156513
ΔH_f, kcal/mol:	17.9
Dipole, Da:	2.5
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-N-[2-(4-fluorophenyl)propan-2-yl]-2,3-dihydroxy-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=CSC(=C2)C3(CC(=O)NC(=N3)NC)C

DOS

IR

Vibrations