Geometry & MOs

Info

ID:	135269
PubChem CID:	51844962
Reduced:	N2O2C29H38 (1)
Stoich.:	A2B2C29D38 (1)
Weight, g/mol:	412.308979
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	3.07
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3)C(=O)C4CCCCC4

DOS

IR

Vibrations