Geometry & MOs

Info

ID:	379350
PubChem CID:	134419123
Reduced:	SF3N8O8C50H57 (1)
Stoich.:	AB3C8D8E50F57 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-366.36
Dipole, Da:	4.2
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-3-methyl-1-(4-methyl-3-oxopentyl)pyrrolidin-2-one

Drug info:

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC(=CC=C4)OCCOCCOCCNC(=O)C5=CC=CC(=C5)C6=CC(=NC=N6)NC7=CC=C(C=C7)OC(F)(F)F)NC

DOS

IR

Vibrations