Geometry & MOs

Info

ID:	62647
PubChem CID:	26732606
Reduced:	S2N3O5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	432.132136
ΔH_f, kcal/mol:	-112.24
Dipole, Da:	5.8
IP(EA), eV:	-9.31(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)/C#N

DOS

IR

Vibrations