Geometry & MOs

Info

ID:	438586
PubChem CID:	135228330
Reduced:	SN2O4C17H30 (1)
Stoich.:	AB2C4D17E30 (1)
Weight, g/mol:	452.231122
ΔH_f, kcal/mol:	-194.62
Dipole, Da:	5.68
IP(EA), eV:	-8.26(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4Z)-2-methylhepta-2,4,6-trienyl] (4R)-2-oxo-4-(phenylmethoxycarbonylamino)-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CC1(C[C@@H]2[C@H](C3(CCN(CC3)C(=O)OC(C)(C)C)CO2)N[S@@]1=O)C

DOS

IR

Vibrations