Geometry & MOs

Info

ID:	185099
PubChem CID:	77255256
Reduced:	ClSO2N7C21H26 (1)
Stoich.:	ABC2D7E21F26 (1)
Weight, g/mol:	263.096914
ΔH_f, kcal/mol:	-2.57
Dipole, Da:	8.71
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCN1N=C(N=N1)CN2C3C=C(SC3C(=O)N(C2=O)C4CCNCC4)C5=CC=CC=C5.Cl

DOS

IR

Vibrations