Geometry & MOs

Info

ID:	164418
PubChem CID:	74397712
Reduced:	N2O2C25H32 (1)
Stoich.:	A2B2C25D32 (1)
Weight, g/mol:	319.199488
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	2.5
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3,5-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OC(=O)N2C=CC3=CC=CC=C3C2(CC(=C)C)C#N)C(C)C

DOS

IR

Vibrations