Geometry & MOs

Info

ID:	437402
PubChem CID:	135226211
Reduced:	SN3O7C21H29 (1)
Stoich.:	AB3C7D21E29 (1)
Weight, g/mol:	387.160577
ΔH_f, kcal/mol:	-270.72
Dipole, Da:	9.59
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-nitropyrazolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OS(=O)(=O)C)C2=CC=CC=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations