Geometry & MOs

Info

ID:	172609
PubChem CID:	75529727
Reduced:	O4N5C22H31 (1)
Stoich.:	A4B5C22D31 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-101.04
Dipole, Da:	7.78
IP(EA), eV:	-9.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8R)-1-methyl-N-(oxan-4-yl)-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(=O)[C@@H]2CCC[C@H](CN(C(=O)C2)C)NCC3=CN=C(C=C3)OC

DOS

IR

Vibrations