Geometry & MOs

Info

ID:	63612
PubChem CID:	26758775
Reduced:	NSF2O5H19C20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-255.38
Dipole, Da:	9.07
IP(EA), eV:	-9.07(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)/C=C/C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations