Geometry & MOs

Info

ID:	158962
PubChem CID:	57244305
Reduced:	SO2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-78.57
Dipole, Da:	4.32
IP(EA), eV:	-9.32(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-2-[[(2R)-2-benzyl-5,5-dimethyl-4-oxohexanoyl]amino]propyl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=S)O2)S(=O)(=O)O

DOS

IR

Vibrations