Geometry & MOs

Info

ID:	313519
PubChem CID:	126615286
Reduced:	SF2N2O6C24H28 (1)
Stoich.:	AB2C2D6E24F28 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-219.39
Dipole, Da:	2.24
IP(EA), eV:	-5.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-ethoxy-2-[2-(3-oxo-1,2-oxazol-5-yl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@@H](N(CC2)C(=O)COCC(=O)O)C(=O)NC3=CC(=C(C(=C3)F)S(C)(C)C)F

DOS

IR

Vibrations