Geometry & MOs

Info

ID:	395406
PubChem CID:	135025379
Reduced:	SiO5C27H48 (1)
Stoich.:	AB5C27D48 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-299.11
Dipole, Da:	2.99
IP(EA), eV:	-8.9(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroxy-N-propan-2-yloxy-3,4-dihydro-1H-isochromene-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]2[C@H]1C(=O)/C(=C(/C)\CCCO[Si](C)(C)C(C)(C)C)/[C@]([C@H]2C)([C@@H](C=C)OCOC)O

DOS

IR

Vibrations