Geometry & MOs

Info

ID:	164494
PubChem CID:	74406608
Reduced:	NBr2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	524.44139
ΔH_f, kcal/mol:	-150.82
Dipole, Da:	3.65
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]icosanamide

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CC3=C(CC2C(=O)C4=CC=CC=C41)C(=C(C(=C3OC)Br)Br)OC

DOS

IR

Vibrations