Geometry & MOs

Info

ID:	315934
PubChem CID:	126629463
Reduced:	ION4C10H17 (1)
Stoich.:	ABC4D10E17 (1)
Weight, g/mol:	609.316249
ΔH_f, kcal/mol:	12.48
Dipole, Da:	2.66
IP(EA), eV:	-9.34(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-[[(E,2R)-2-(1-acetyloxyethyl)-4-(2-ethylquinolin-7-yl)but-3-enoyl]amino]-3-methylbutanoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C\CCCN=C(N)NC(=O)/C=N\I

DOS

IR

Vibrations