Geometry & MOs

Info

ID:	189178
PubChem CID:	77825713
Reduced:	FSO4N5C24H34 (1)
Stoich.:	ABC4D5E24F34 (1)
Weight, g/mol:	516.159804
ΔH_f, kcal/mol:	-196.11
Dipole, Da:	10.1
IP(EA), eV:	-8.31(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[2-(methylamino)-4,5-dihydro-1,3-thiazol-4-yl]phenyl]methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)C(C(C(=O)NCC2CCN(CC2)C3=C(C=C(C=C3)F)N)O)O)C4NC=CS4

DOS

IR

Vibrations