Geometry & MOs

Info

ID:	447431
PubChem CID:	135282837
Reduced:	O3N5C25H35 (1)
Stoich.:	A3B5C25D35 (1)
Weight, g/mol:	448.12229
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	3.72
IP(EA), eV:	-8.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(4S)-5-(6-iodo-2-methylpyridin-3-yl)oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCC(CCCNC(=O)C(=C)C)ON1C(=NC2=C1C3=CC=CC=C3N=C2N)COCC

DOS

IR

Vibrations