Geometry & MOs

Info

ID:	171008
PubChem CID:	75311553
Reduced:	OC19H38 (1)
Stoich.:	AB19C38 (1)
Weight, g/mol:	590.295179
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	2.34
IP(EA), eV:	-9.72(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methoxycarbonyloxymethyl 3-[propan-2-yl-[2,2,7-trimethyl-3-oxo-4-[2-(propanoylamino)ethyl]-1,4-benzoxazine-6-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCCCCCCCCCCC=CCCCO

DOS

IR

Vibrations