Geometry & MOs

Info

ID:	422880
PubChem CID:	135118557
Reduced:	NO4C18H27 (1)
Stoich.:	AB4C18D27 (1)
Weight, g/mol:	593.321334
ΔH_f, kcal/mol:	-179.66
Dipole, Da:	6.92
IP(EA), eV:	-8.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,9S,12R)-3-benzyl-13-[(2R)-2-methoxy-2-phenylacetyl]-7,12-dimethyl-9-propan-2-yl-1,4,7,10,13-pentazacyclohexadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C=C(C=C2)OC)C)C(=O)O

DOS

IR

Vibrations