Geometry & MOs

Info

ID:	149581
PubChem CID:	53789255
Reduced:	ON3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	471.203922
ΔH_f, kcal/mol:	53.23
Dipole, Da:	3.26
IP(EA), eV:	-9.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC(=N)CC1=NC(=NO1)CC2=CC=CC=C2

DOS

IR

Vibrations