Geometry & MOs

Info

ID:	62663
PubChem CID:	26732630
Reduced:	NSF2O4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-212.15
Dipole, Da:	5.39
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)C2=CC=CO2

DOS

IR

Vibrations