Geometry & MOs

Info

ID:	339980
PubChem CID:	127261989
Reduced:	N3O4C25H25 (1)
Stoich.:	A3B4C25D25 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-100.08
Dipole, Da:	3.32
IP(EA), eV:	-9.53(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(benzenecarbonothioylamino)-3-[4-(diaminomethylideneamino)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(C2=CC=CC=C2)C(=O)CNC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations