Geometry & MOs

Info

ID:

303648

PubChem CID:

124489998

Reduced:

ON2H26C30 (1)

Stoich.:

AB2C26D30 (1)

Weight, g/mol:

448.130422

ΔHf, kcal/mol:

62.52

Dipole, Da:

0.62

IP(EA), eV:

 -8.36(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4R,6R,7S,7aS)-7-(imidazole-1-carbothioyloxy)-4-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methyl benzoate

Drug info:

PubChemData

Smile

CN1CCC2=C([C@]13C[C@@H](C4=C(O3)C=CC5=CC=CC=C54)C6=CC=CC=C6)NC7=CC=CC=C27

DOS

IR

Vibrations