Geometry & MOs

Info

ID:	230958
PubChem CID:	87572331
Reduced:	O7N11C58H69 (1)
Stoich.:	A7B11C58D69 (1)
Weight, g/mol:	469.376724
ΔH_f, kcal/mol:	-180.11
Dipole, Da:	10.09
IP(EA), eV:	-8.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibutan-2-yl (2S)-2-(tetradecanoylamino)pentanedioate

Drug info:

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)[C@H]4CC[C@@H](N4C5=CC=C(C=C5)C6=CN=C(C=C6)N7CCOCC7)C8=CC=C(C=C8)C9=CN=C(N9)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations