Geometry & MOs

Info

ID:	434730
PubChem CID:	135175592
Reduced:	SF2N3O4C37H39 (1)
Stoich.:	AB2C3D4E37F39 (1)
Weight, g/mol:	388.345364
ΔH_f, kcal/mol:	-193.65
Dipole, Da:	4.59
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(ethylideneamino)-1-hexadecan-8-yl-4-[(Z)-prop-1-enyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)C7=CC=CC=C7)(F)F

DOS

IR

Vibrations