Geometry & MOs

Info

ID:	63611
PubChem CID:	26758773
Reduced:	ClNO5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	423.0952
ΔH_f, kcal/mol:	-157.34
Dipole, Da:	3.08
IP(EA), eV:	-8.86(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations