Geometry & MOs

Info

ID:	324455
PubChem CID:	126677703
Reduced:	N7H15C19 (1)
Stoich.:	A7B15C19 (1)
Weight, g/mol:	441.250668
ΔH_f, kcal/mol:	170.54
Dipole, Da:	2.64
IP(EA), eV:	-8.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)methyl N-[(5S)-6-amino-5-[[(2S)-2-amino-4-methylpentyl]carbamoylamino]hexyl]carbamate

Drug info:

PubChemData

Smile

CN1C=NC2=C1C=C(C=C2)NC3=NC(=NN4C3=CC=C4)C5=CC=CC=N5

DOS

IR

Vibrations