Geometry & MOs

Info

ID:	46859
PubChem CID:	10527944
Reduced:	O3C5H7 (4)
Stoich.:	A3B5C7 (4)
Weight, g/mol:	460.304956
ΔH_f, kcal/mol:	-530.31
Dipole, Da:	5.4
IP(EA), eV:	-10.3(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N,N-diethyl-2-[(2R)-2-[2-oxo-2-(phenylmethoxyamino)ethyl]heptanoyl]diazinane-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C(=C)[C@@H](OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations