Geometry & MOs

Info

ID:	169287
PubChem CID:	75084728
Reduced:	NaSN2O3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	546.19032
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	5.66
IP(EA), eV:	-8.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(benzotriazol-1-yl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N=C2C=CC=CN2[O-].[Na+]

DOS

IR

Vibrations