Geometry & MOs

Info

ID:	227097
PubChem CID:	87560176
Reduced:	FN6O7C34H43 (1)
Stoich.:	AB6C7D34E43 (1)
Weight, g/mol:	325.298079
ΔH_f, kcal/mol:	-248.18
Dipole, Da:	9.42
IP(EA), eV:	-8.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-16-(propan-2-ylamino)hexadec-11-enoate

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)N2CCC(CC2)CCCOC3=C(C=C(C(=C3)F)C(C=O)C4=C(C=CC(=C4)OC)NC(=O)O)N5CCCC5C(=O)N

DOS

IR

Vibrations