Geometry & MOs

Info

ID:	233392
PubChem CID:	89854992
Reduced:	N3O3C9H19 (2)
Stoich.:	A3B3C9D19 (2)
Weight, g/mol:	376.255994
ΔH_f, kcal/mol:	-275.77
Dipole, Da:	17.2
IP(EA), eV:	-8.33(0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxypropan-2-yloxy]-3-carboxypropyl]-trimethylazanium

Drug info:

PubChemData

Smile

CC(COC(=O)[C@H](CCCN=C(N)N)N)OC(CC(=O)[O-])C[N+](C)(C)C.CC(=O)N

DOS

IR

Vibrations