Geometry & MOs

Info

ID:	63799
PubChem CID:	26759209
Reduced:	S2N3O6C21H27 (1)
Stoich.:	A2B3C6D21E27 (1)
Weight, g/mol:	415.045663
ΔH_f, kcal/mol:	-205.2
Dipole, Da:	3.83
IP(EA), eV:	-9.41(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NC(C)C

DOS

IR

Vibrations