Geometry & MOs

Info

ID:	172607
PubChem CID:	75529725
Reduced:	SO3N5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	402.237939
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	6.48
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)[C@@H]2CCC[C@H](CN(C(=O)C2)C)NCC3=NC=CS3

DOS

IR

Vibrations