Geometry & MOs

Info

ID:	169468
PubChem CID:	75106541
Reduced:	ClO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	671.210857
ΔH_f, kcal/mol:	-98.87
Dipole, Da:	3.67
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] 2-methoxy-6-(2-nitrooxyethoxy)benzoate

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)C2CCCN2C(=O)C3CC4CCCCC4N3.Cl

DOS

IR

Vibrations