Geometry & MOs

Info

ID:	32986
PubChem CID:	7849967
Reduced:	FSN2O7H15C17 (1)
Stoich.:	ABC2D7E15F17 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-213.27
Dipole, Da:	3.41
IP(EA), eV:	-9.9(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])F

DOS

IR

Vibrations