Geometry & MOs

Info

ID:	233391
PubChem CID:	89854991
Reduced:	O2N3H13C14 (2)
Stoich.:	A2B3C13D14 (2)
Weight, g/mol:	434.285283
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	5.94
IP(EA), eV:	-9.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetamide;3-[1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropan-2-yloxy]-4-(trimethylazaniumyl)butanoate

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(=O)N1CC3=NN(C=C3)C4=C(C=CC=N4)C(=O)NC(CC5=CC=CC=C5)C(C(=O)N)O

DOS

IR

Vibrations