Geometry & MOs

Info

ID:	129277
PubChem CID:	51072151
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	418.199839
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	7.4
IP(EA), eV:	-9.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(diaminomethylideneamino)pentanoic acid;5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC1(CC(=NO)CC(N1)(C)C)C.C1=CC=C(C=C1)/C=C/C(=O)O

DOS

IR

Vibrations