Geometry & MOs

Info

ID:	47123
PubChem CID:	10529740
Reduced:	NSO6C28H33 (1)
Stoich.:	ABC6D28E33 (1)
Weight, g/mol:	511.304621
ΔH_f, kcal/mol:	-200.06
Dipole, Da:	5.98
IP(EA), eV:	-8.45(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S,4S)-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-[[(1R)-1-phenylethyl]amino]hexan-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N[C@@H](CC2=C(C(=CC(=C2)OC)OC)SCC3=CC=C(C=C3)OC)CO

DOS

IR

Vibrations