Geometry & MOs

Info

ID:	325816
PubChem CID:	126685100
Reduced:	ClSF3O3N6C30H34 (1)
Stoich.:	ABC3D3E6F30G34 (1)
Weight, g/mol:	304.107752
ΔH_f, kcal/mol:	-210.2
Dipole, Da:	7.07
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R,2R,3R,5R)-5-chloro-2-formyl-3-(oxan-2-yloxy)cyclopentyl]acetate

Drug info:

PubChemData

Smile

CC(C1=NC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=CN=CC(=C3CCC4CN[C@@H]5CCCS(=O)(=O)N4C5)F)N)(F)F

DOS

IR

Vibrations