Geometry & MOs

Info

ID:	432628
PubChem CID:	135172764
Reduced:	FN5O10C48H72 (1)
Stoich.:	AB5C10D48E72 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-496.73
Dipole, Da:	6.11
IP(EA), eV:	-9.4(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethoxycarbonyl 5-(1-adamantyl)-2-hydroxy-4-methoxybenzoate

Drug info:

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1C[C@H](C[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OC)F)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations