Geometry & MOs

Info

ID:	445849
PubChem CID:	135269786
Reduced:	NO4C14H21 (2)
Stoich.:	AB4C14D21 (2)
Weight, g/mol:	556.263875
ΔH_f, kcal/mol:	-384.19
Dipole, Da:	2.19
IP(EA), eV:	-10.13(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[1,6-dimethyl-3-(4-propan-2-ylsulfinylphenyl)-2H-pyrazin-5-yl]-(methylamino)methyl] 3-chloro-4-(2-methylpentyl)benzenecarboximidate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1CCCCC1OC(=O)NC2CCC(CC2)NC(=O)OC3CCCCC3OC(=O)C(=C)C

DOS

IR

Vibrations