Geometry & MOs

Info

ID:	434534
PubChem CID:	135175142
Reduced:	F2S2O7N9C48H57 (1)
Stoich.:	A2B2C7D9E48F57 (1)
Weight, g/mol:	193.050571
ΔH_f, kcal/mol:	-297.93
Dipole, Da:	3.33
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-1-(chloromethyl)-4-hydroxypyrrolidine-2-carboxylate

Drug info:

Smile

CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)N4CCN(CC4)C(=O)CCCC(=O)N[C@H](C(=O)N5CCC[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)C(C)(C)C)F

DOS

IR

Vibrations