Geometry & MOs

Info

ID:	375557
PubChem CID:	134213932
Reduced:	ClNC8H12 (1)
Stoich.:	ABC8D12 (1)
Weight, g/mol:	1045.730361
ΔH_f, kcal/mol:	6.74
Dipole, Da:	3.09
IP(EA), eV:	-7.97(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[4-[[2-[(E)-dimethylaminomethylideneamino]-4-oxo-1H-pteridin-6-yl]methyl-formylamino]benzoyl]amino]-5-[2,3-di(tetradecoxy)propylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC1C(=CC=CN1C)Cl

DOS

IR

Vibrations