Geometry & MOs

Info

ID:	188728
PubChem CID:	77759673
Reduced:	NaSN3O5C13H15 (1)
Stoich.:	ABC3D5E13F15 (1)
Weight, g/mol:	565.228496
ΔH_f, kcal/mol:	-234.1
Dipole, Da:	6.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769380
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[[2-[4-[4-(1H-benzimidazol-2-ylamino)butyl]-2,5-dioxoimidazolidin-1-yl]acetyl]amino]phenyl]methoxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(C2C1N(C2=O)S(=O)(=O)O)C(=O)NCC3=CC=CC=C3.[Na]

DOS

IR

Vibrations