Geometry & MOs

Info

ID:	189592
PubChem CID:	77877235
Reduced:	N4O11C27H40 (1)
Stoich.:	A4B11C27D40 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-498.26
Dipole, Da:	8.28
IP(EA), eV:	-9.52(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;6-hexyl-4-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,12-tetraene

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1C(OC(C(C1(CC(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)O)O)CO)OCC2=CC=CC=C2

DOS

IR

Vibrations