Geometry & MOs

Info

ID:	134692
PubChem CID:	51739714
Reduced:	FN2O3C28H35 (1)
Stoich.:	AB2C3D28E35 (1)
Weight, g/mol:	457.294057
ΔH_f, kcal/mol:	-155.08
Dipole, Da:	8.32
IP(EA), eV:	-9.07(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-nitro-N-[(Z,2S)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pent-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3CCCCC3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations