Geometry & MOs

Info

ID:	185836
PubChem CID:	77357456
Reduced:	SN7O7C19H19 (1)
Stoich.:	AB7C7D19E19 (1)
Weight, g/mol:	537.160811
ΔH_f, kcal/mol:	-106.66
Dipole, Da:	5.41
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2-amino-3-carboxypropanoyl)anilino)-2-[4-[4-(diaminomethylideneamino)phenyl]-2,5-dioxoimidazol-1-yl]-3-oxobutanoic acid

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SC2=C(N3C4C2CCN(C4C3=O)C(=O)NCC5=CC(=C(C=C5)O)O)OC(=O)O

DOS

IR

Vibrations