Geometry & MOs

Info

ID:	63506
PubChem CID:	26758510
Reduced:	BrSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	361.07955
ΔH_f, kcal/mol:	-135.76
Dipole, Da:	5.73
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations