Geometry & MOs

Info

ID:	178984
PubChem CID:	76413060
Reduced:	O5N6H22C24 (1)
Stoich.:	A5B6C22D24 (1)
Weight, g/mol:	638.404335
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	5.52
IP(EA), eV:	-9.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-(1-amino-1-oxohexadecan-3-yl) 6-O-benzyl 2-(pyridin-2-ylmethylcarbamoylamino)hexanedioate

Drug info:

PubChemData

Smile

COC1=NC(=NC(=N1)N2C(C(C2=O)C=CC3=CN=CC=C3)N4C(COC4=O)C5=CC=CC=C5)OC

DOS

IR

Vibrations