Geometry & MOs

Info

ID:	46878
PubChem CID:	10528074
Reduced:	N3O3H25C29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	463.268236
ΔH_f, kcal/mol:	50.44
Dipole, Da:	6.24
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[1-(5-hydroxypentylamino)-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)(C3=CC=C(C=C3)OC)N4N=C5C=CC=CC5=N4

DOS

IR

Vibrations