Geometry & MOs

Info

ID:	44277
PubChem CID:	10502377
Reduced:	N3C19H26 (1)
Stoich.:	A3B19C26 (1)
Weight, g/mol:	423.090035
ΔH_f, kcal/mol:	63.67
Dipole, Da:	1.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.911887
Charge, e:	0

Chem-info

IUPAC name:

(2R,4Z)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-methoxyiminopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3C4=C2CCCC4)C

DOS

IR

Vibrations