Geometry & MOs

Info

ID:	227281
PubChem CID:	87561016
Reduced:	FN6O11C31H39 (1)
Stoich.:	AB6C11D31E39 (1)
Weight, g/mol:	354.288243
ΔH_f, kcal/mol:	-474.22
Dipole, Da:	5.67
IP(EA), eV:	-9.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-16-(ethylcarbamoylamino)hexadec-14-enoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)C(C=O)F)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations