Geometry & MOs

Info

ID:	43069
PubChem CID:	10318300
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	391.235873
ΔH_f, kcal/mol:	7.29
Dipole, Da:	1.19
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-13-(phenylmethoxycarbonylamino)tridecanoate

Drug info:

PubChemData

Smile

CCN1C2=NC=C(C(=C2C=N1)NC3CCOCC3)C4=N[C@H](CO4)C5=CC=CC=C5

DOS

IR

Vibrations