Geometry & MOs

Info

ID:	337586
PubChem CID:	127258209
Reduced:	OSCl2N6C7H10 (1)
Stoich.:	ABC2D6E7F10 (1)
Weight, g/mol:	475.300599
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	3.09
IP(EA), eV:	-9.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;tert-butyl N-[N'-[(5S)-5-amino-6-(dimethylamino)-6-oxohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CSC(=NC(=O)C1=C(N=C(C(=N1)Cl)N)N)N.Cl

DOS

IR

Vibrations