Geometry & MOs

Info

ID:	161718
PubChem CID:	57392414
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	404.098391
ΔH_f, kcal/mol:	39.45
Dipole, Da:	1.89
IP(EA), eV:	-8.74(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(Z)-2-cyano-3-hydroxypent-2-enoyl]amino]-2-(3,4,5-trifluorophenyl)benzoate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3N=C2N)CC4=CC=CC=C4

DOS

IR

Vibrations