Geometry & MOs

Info

ID:	305112
PubChem CID:	124766537
Reduced:	NO8C14H21 (1)
Stoich.:	AB8C14D21 (1)
Weight, g/mol:	331.126717
ΔH_f, kcal/mol:	-321.27
Dipole, Da:	3.91
IP(EA), eV:	-10.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S,2R,6S,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](O1)[C@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NCC(=O)O)C

DOS

IR

Vibrations