Geometry & MOs

Info

ID:	379211
PubChem CID:	134356780
Reduced:	SN3O5C22H35 (1)
Stoich.:	AB3C5D22E35 (1)
Weight, g/mol:	406.209044
ΔH_f, kcal/mol:	-232.01
Dipole, Da:	5.31
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

imino-[3-[[(2R)-1-methoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamoyl]phenyl]iminoazanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCC(C(=O)CSC1=CN=CC=C1)NC(=O)C(C)(C)OC

DOS

IR

Vibrations