Geometry & MOs

Info

ID:	188620
PubChem CID:	77743208
Reduced:	ClSN5O6C20H24 (1)
Stoich.:	ABC5D6E20F24 (1)
Weight, g/mol:	291.128214
ΔH_f, kcal/mol:	-222.12
Dipole, Da:	7.99
IP(EA), eV:	-9.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-4,4-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CS(=O)(=O)NC(CO)C(=O)NCC(=O)NC(=O)C2=CC=C(C=C2)C(=N)N.Cl

DOS

IR

Vibrations