Geometry & MOs

Info

ID:	227239
PubChem CID:	87560769
Reduced:	NO2H21C28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	605.099868
ΔH_f, kcal/mol:	51.03
Dipole, Da:	3.66
IP(EA), eV:	-9.38(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(diaminomethylideneamino)-2-[[5-(4-nitrophenyl)-3-[(2-nitrophenyl)sulfonylamino]thiophene-2-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1C=CC2=NC3=CC=CC=C3C=C2C1=O.C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2

DOS

IR

Vibrations