Geometry & MOs

Info

ID:	420852
PubChem CID:	135114928
Reduced:	SN5O6C27H41 (1)
Stoich.:	AB5C6D27E41 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-271.51
Dipole, Da:	2.9
IP(EA), eV:	-8.62(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CCO)CC2=CC=CC=C2

DOS

IR

Vibrations