Geometry & MOs

Info

ID:	166352
PubChem CID:	74675773
Reduced:	SO2F3N5C20H23 (1)
Stoich.:	AB2C3D5E20F23 (1)
Weight, g/mol:	250.107933
ΔH_f, kcal/mol:	-165.38
Dipole, Da:	5.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754670
Charge, e:	-1

Chem-info

IUPAC name:

2-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N2CC[NH+](CC2)CC(=O)N3C(CC(=O)NC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations