Geometry & MOs

Info

ID:	134708
PubChem CID:	51742674
Reduced:	N2O3C28H40 (1)
Stoich.:	A2B3C28D40 (1)
Weight, g/mol:	418.319543
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	4.38
IP(EA), eV:	-9.29(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-[3-cyclohexylpropanoyl(furan-2-ylmethyl)amino]-3-ethylpentanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)[C@H](C(=O)NC(C)(C)C)N(CC2=CC=CO2)C(=O)CCC3CCCCC3

DOS

IR

Vibrations