Geometry & MOs

Info

ID:	38059
PubChem CID:	8026716
Reduced:	ClN2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	6.46
IP(EA), eV:	-9.21(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)NC(=O)COC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations