Geometry & MOs

Info

ID:	187402
PubChem CID:	77570035
Reduced:	ClSF2N4O5H16C24 (1)
Stoich.:	ABC2D4E5F16G24 (1)
Weight, g/mol:	450.251858
ΔH_f, kcal/mol:	-158.63
Dipole, Da:	4.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.029128
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-propan-2-ylpyrrolidin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NC=CN=C2C(=C1)N(C3=C(C=CC(=C3)Cl)C(=O)NC(CC4=CC(=C(C=C4)F)F)C(=O)O)S(=O)[O-]

DOS

IR

Vibrations