Geometry & MOs

Info

ID:	379240
PubChem CID:	134356891
Reduced:	ClO6N9C38H60 (1)
Stoich.:	AB6C9D38E60 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-250.68
Dipole, Da:	7.91
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)butanoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCCCCCN(CCCN[C@H](C)CC1=CC=C(C2=CC=CC=C12)CCCCN=C(N)NC(=O)C3=C(N=C(C(=N3)Cl)N)N)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations