Geometry & MOs

Info

ID:	441102
PubChem CID:	135233122
Reduced:	N2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	333.17625
ΔH_f, kcal/mol:	-113.49
Dipole, Da:	4.92
IP(EA), eV:	-8.63(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[(E)-6-(but-1-en-2-ylamino)hex-5-en-2-yl]-2-methylidene-4-sulfanylpyran-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C=C(OC1=O)C(C)CC/C=C/NC(=C)OC)N=O

DOS

IR

Vibrations