Geometry & MOs

Info

ID:	62643
PubChem CID:	26732602
Reduced:	SN2O3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	442.135114
ΔH_f, kcal/mol:	-13.91
Dipole, Da:	5.3
IP(EA), eV:	-8.99(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)/C#N

DOS

IR

Vibrations